4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide

C20H33N3O6 — CID 170391351

IUPAC4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide
SMILESCC(=O)CCC(N)C(=O)NC(CCC(=O)NC(CCC(C)=O)C(C)=O)CC(C)=O
InChIInChI=1S/C20H33N3O6/c1-12(24)5-8-17(21)20(29)22-16(11-14(3)26)7-10-19(28)23-18(15(4)27)9-6-13(2)25/h16-18H,5-11,21H2,1-4H3,(H,22,29)(H,23,28)
InChIKeyPARPILVWJOGNNM-UHFFFAOYSA-N
MW411.50 g/mol
LogP0.37
Rot. Bonds15

About 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide

4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide (PubChem CID 170391351) has the molecular formula C20H33N3O6 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide.

Molecular Properties

Compound Name4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide
PubChem CID170391351
Molecular FormulaC20H33N3O6
Molecular Weight411.50 g/mol
Exact Mass411.24
IUPAC Name4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide
SMILESCC(=O)CCC(N)C(=O)NC(CCC(=O)NC(CCC(C)=O)C(C)=O)CC(C)=O
InChIInChI=1S/C20H33N3O6/c1-12(24)5-8-17(21)20(29)22-16(11-14(3)26)7-10-19(28)23-18(15(4)27)9-6-13(2)25/h16-18H,5-11,21H2,1-4H3,(H,22,29)(H,23,28)
InChIKeyPARPILVWJOGNNM-UHFFFAOYSA-N
XLogP0.37
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dioxoheptan-3-yl)-4-[[2-(methylamino)-5-oxohexanoyl]amino]-6-oxoheptanamide
CID 170415474
N-(2,6-dioxoheptan-3-yl)-4-[[2-[[2-(methylamino)-5-oxohexanoyl]amino]-5-oxohexanoyl]amino]-6-oxoheptanamide
CID 170415565
N-[1-[[1-(2,7-dioxooctan-4-ylamino)-1,5-dioxohexan-2-yl]amino]-1,5-dioxohexan-2-yl]-2-methyl-5-oxohexanamide
CID 170391427
4-[[2-[2,6-bis(methylamino)hexanoylamino]-6-(methylamino)hexanoyl]amino]-N-[7-(methylamino)-2-oxoheptan-3-yl]-6-oxoheptanamide
CID 170415561
benzyl N-[(3S)-6-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6-dioxohexan-3-yl]carbamate
CID 130398412
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87874231
2-[(4-amino-5-oxohexanoyl)amino]butanedioic acid
CID 58892230
N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide
CID 170415407
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide?
The IUPAC name of 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide (CID 170391351) is 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide.
What is the SMILES notation for 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide?
The canonical SMILES for 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide is CC(=O)CCC(N)C(=O)NC(CCC(=O)NC(CCC(C)=O)C(C)=O)CC(C)=O.
What is the InChIKey of 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide?
The InChIKey is PARPILVWJOGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O6/c1-12(24)5-8-17(21)20(29)22-16(11-14(3)26)7-10-19(28)23-18(15(4)27)9-6-13(2)25/h16-18H,5-11,21H2,1-4H3,(H,22,29)(H,23,28).
What are the key properties of 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide?
4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide has a molecular weight of 411.50 g/mol, XLogP of 0.37, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide is sourced from PubChem (CID 170391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).