acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea

C38H69N7O12P+ — CID 156738270

IUPACacetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea
SMILESC#C.CC(C)C(C)N.CCCNC(N)=O.O=CCCCCC(=O)N1CC[C@H](O)C1.O=CNCC(=O)Nc1ccc(COC(=O)NCCOCCOCCO[PH2+]O)cc1
InChIInChI=1S/C17H26N3O8P.C10H17NO3.C5H13N.C4H10N2O.C2H2/c21-13-18-11-16(22)20-15-3-1-14(2-4-15)12-27-17(23)19-5-6-25-7-8-26-9-10-28-29-24;12-7-3-1-2-4-10(14)11-6-5-9(13)8-11;1-4(2)5(3)6;1-2-3-6-4(5)7;1-2/h1-4,13,24H,5-12,29H2,(H2-,18,19,20,21,22,23);7,9,13H,1-6,8H2;4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H/p+1/t;9-;;;/m.0.../s1
InChIKeyGZSGSACALIUBKR-WUAHWFRISA-O
MW846.98 g/mol
LogP1.52
Rot. Bonds24

About acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea

acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea (PubChem CID 156738270) has the molecular formula C38H69N7O12P+ and a molecular weight of 846.98 g/mol. Its IUPAC name is acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea.

Molecular Properties

Compound Nameacetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea
PubChem CID156738270
Molecular FormulaC38H69N7O12P+
Molecular Weight846.98 g/mol
Exact Mass846.47
IUPAC Nameacetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea
SMILESC#C.CC(C)C(C)N.CCCNC(N)=O.O=CCCCCC(=O)N1CC[C@H](O)C1.O=CNCC(=O)Nc1ccc(COC(=O)NCCOCCOCCO[PH2+]O)cc1
InChIInChI=1S/C17H26N3O8P.C10H17NO3.C5H13N.C4H10N2O.C2H2/c21-13-18-11-16(22)20-15-3-1-14(2-4-15)12-27-17(23)19-5-6-25-7-8-26-9-10-28-29-24;12-7-3-1-2-4-10(14)11-6-5-9(13)8-11;1-4(2)5(3)6;1-2-3-6-4(5)7;1-2/h1-4,13,24H,5-12,29H2,(H2-,18,19,20,21,22,23);7,9,13H,1-6,8H2;4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H/p+1/t;9-;;;/m.0.../s1
InChIKeyGZSGSACALIUBKR-WUAHWFRISA-O
XLogP1.52
TPSA283.20 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.98
LogP ≤ 51.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[2-[2-[2-[[4-[[2-[[3-methyl-2-[[6-oxo-6-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]hexanoyl]amino]butanoyl]amino]acetyl]amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]phosphinic acid
CID 170124021
2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea
CID 142601689
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;[4-[(2-formamidoacetyl)amino]phenyl]methyl acetate;propylurea
CID 144713686
[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
CID 170966798
[4-[[2-[(2-amino-3-methylbutanoyl)amino]acetyl]amino]phenyl]methyl formate;propylurea
CID 176987623
[4-[[2-[[3-methyl-2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoyl]amino]acetyl]amino]phenyl]methyl 2-methylpropanoate;propylurea
CID 171804691
[4-[[2-(methylamino)acetyl]amino]phenyl]methyl carbamate;N-(3-methyl-1-oxobutan-2-yl)pentanamide;propane;propylurea
CID 162681938
[4-[(2-formamidoacetyl)amino]phenyl]methyl (4-nitrophenyl) carbonate;N-(3-methylbutan-2-yl)hex-5-ynamide;propylurea
CID 176959568
[4-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl propanoate;propylurea
CID 163250586
(2,5-dioxopyrrolidin-1-yl) [4-[(2-formamidoacetyl)amino]phenyl]methyl carbonate;2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 165397687
acetylene;[4-[[2-[[2-[6-[2,5-dioxo-3-(3-sulfanylpentan-3-yl)pyrrolidin-1-yl]hexanoylamino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl hydrogen carbonate;ethane;propylurea
CID 143794782
tert-butyl N-[2-[2-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 134511153

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea?
The IUPAC name of acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea (CID 156738270) is acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea.
What is the SMILES notation for acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea?
The canonical SMILES for acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea is C#C.CC(C)C(C)N.CCCNC(N)=O.O=CCCCCC(=O)N1CC[C@H](O)C1.O=CNCC(=O)Nc1ccc(COC(=O)NCCOCCOCCO[PH2+]O)cc1.
What is the InChIKey of acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea?
The InChIKey is GZSGSACALIUBKR-WUAHWFRISA-O. The full InChI is InChI=1S/C17H26N3O8P.C10H17NO3.C5H13N.C4H10N2O.C2H2/c21-13-18-11-16(22)20-15-3-1-14(2-4-15)12-27-17(23)19-5-6-25-7-8-26-9-10-28-29-24;12-7-3-1-2-4-10(14)11-6-5-9(13)8-11;1-4(2)5(3)6;1-2-3-6-4(5)7;1-2/h1-4,13,24H,5-12,29H2,(H2-,18,19,20,21,22,23);7,9,13H,1-6,8H2;4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7);1-2H/p+1/t;9-;;;/m.0.../s1.
What are the key properties of acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea?
acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea has a molecular weight of 846.98 g/mol, XLogP of 1.52, 24 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[2-[2-[[4-[(2-formamidoacetyl)amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy-hydroxyphosphanium;6-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxohexanal;3-methylbutan-2-amine;propylurea is sourced from PubChem (CID 156738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).