N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide

C15H21N5O6 — CID 154936809

IUPACN-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide
SMILESCC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N5O6/c1-9(21)10(3-2-6-17-15(16)26)19-11(22)7-18-12(23)8-20-13(24)4-5-14(20)25/h4-5,10H,2-3,6-8H2,1H3,(H,18,23)(H,19,22)(H3,16,17,26)
InChIKeyGBAKMSIPIFMNOX-UHFFFAOYSA-N
MW367.36 g/mol
LogP-2.45
Rot. Bonds10

About N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide

N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide (PubChem CID 154936809) has the molecular formula C15H21N5O6 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide
PubChem CID154936809
Molecular FormulaC15H21N5O6
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC NameN-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide
SMILESCC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N5O6/c1-9(21)10(3-2-6-17-15(16)26)19-11(22)7-18-12(23)8-20-13(24)4-5-14(20)25/h4-5,10H,2-3,6-8H2,1H3,(H,18,23)(H,19,22)(H3,16,17,26)
InChIKeyGBAKMSIPIFMNOX-UHFFFAOYSA-N
XLogP-2.45
TPSA167.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 171818132
5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoic acid;propane
CID 156647066
N-[1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanamide
CID 142599415
4-amino-2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 130469407
(2S)-5-(diaminomethylideneamino)-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[[2-[2-[2-[[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]pentanamide
CID 176870120
N-[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-6-(2-ethylbutanoylamino)hexanamide
CID 139457883
N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 146490463
(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
CID 175894860
6-[[3-bromo-2-(bromomethyl)propanoyl]amino]-N-[2-[[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]hexanamide
CID 139458300
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanamide
CID 142800854
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]acetyl]amino]-3-methylbutanoyl]amino]pentanoic acid
CID 69466849
[7-[[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-7-oxoheptan-2-yl] 3-bromo-2-(bromomethyl)propanoate
CID 130295738

Frequently Asked Questions

What is the IUPAC name of N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide (CID 154936809) is N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide is CC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide?
The InChIKey is GBAKMSIPIFMNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O6/c1-9(21)10(3-2-6-17-15(16)26)19-11(22)7-18-12(23)8-20-13(24)4-5-14(20)25/h4-5,10H,2-3,6-8H2,1H3,(H,18,23)(H,19,22)(H3,16,17,26).
What are the key properties of N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide?
N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide has a molecular weight of 367.36 g/mol, XLogP of -2.45, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 154936809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).