2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea

C19H35N5O4 — CID 142601689

IUPAC2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea
SMILESCC(C)C(C)N.CCCNC(N)=O.O=CNCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C10H12N2O3.C5H13N.C4H10N2O/c13-6-8-1-3-9(4-2-8)12-10(15)5-11-7-14;1-4(2)5(3)6;1-2-3-6-4(5)7/h1-4,7,13H,5-6H2,(H,11,14)(H,12,15);4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7)
InChIKeyFCXCIBRCSKRAGB-UHFFFAOYSA-N
MW397.52 g/mol
LogP0.92
Rot. Bonds8

About 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea

2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea (PubChem CID 142601689) has the molecular formula C19H35N5O4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea.

Molecular Properties

Compound Name2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea
PubChem CID142601689
Molecular FormulaC19H35N5O4
Molecular Weight397.52 g/mol
Exact Mass397.27
IUPAC Name2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea
SMILESCC(C)C(C)N.CCCNC(N)=O.O=CNCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C10H12N2O3.C5H13N.C4H10N2O/c13-6-8-1-3-9(4-2-8)12-10(15)5-11-7-14;1-4(2)5(3)6;1-2-3-6-4(5)7/h1-4,7,13H,5-6H2,(H,11,14)(H,12,15);4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7)
InChIKeyFCXCIBRCSKRAGB-UHFFFAOYSA-N
XLogP0.92
TPSA159.57 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 50.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-formamido-N-[4-(methylaminomethyl)phenyl]acetamide;(2R)-N-methyl-1-phenylpropan-2-amine;propylurea
CID 171545608
[4-[[2-[(2-amino-3-methylbutanoyl)amino]acetyl]amino]phenyl]methyl formate;propylurea
CID 176987623
butan-1-amine;2,6-diamino-N-[2-[[1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide;propylurea
CID 171541560
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;[4-[(2-formamidoacetyl)amino]phenyl]methyl acetate;propylurea
CID 144713686
[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 N-(2-methylpropyl)carbamate
CID 170966798
2-[[(2S)-2-amino-3-methylbutanoyl]iminomethyl]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide
CID 139397870
[4-[(2-formamidoacetyl)amino]phenyl]methyl (4-nitrophenyl) carbonate;N-(3-methylbutan-2-yl)hex-5-ynamide;propylurea
CID 176959568
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
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]hexanamide
CID 170009615
2-formamido-N-[4-(methylamino)phenyl]acetamide
CID 178056431
ethane;[4-[[2-[[3-methyl-2-(propan-2-ylamino)butanoyl]amino]acetyl]amino]phenyl]methyl acetate;propylurea
CID 171804817

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea?
The IUPAC name of 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea (CID 142601689) is 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea.
What is the SMILES notation for 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea?
The canonical SMILES for 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea is CC(C)C(C)N.CCCNC(N)=O.O=CNCC(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea?
The InChIKey is FCXCIBRCSKRAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.C5H13N.C4H10N2O/c13-6-8-1-3-9(4-2-8)12-10(15)5-11-7-14;1-4(2)5(3)6;1-2-3-6-4(5)7/h1-4,7,13H,5-6H2,(H,11,14)(H,12,15);4-5H,6H2,1-3H3;2-3H2,1H3,(H3,5,6,7).
What are the key properties of 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea?
2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea has a molecular weight of 397.52 g/mol, XLogP of 0.92, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea is sourced from PubChem (CID 142601689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).