N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide

C23H44N2O3 — CID 153239973

IUPACN-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
SMILESCCCCCCCCCCCCC(=O)CCC(=O)NC(CCCCN)C(C)=O
InChIInChI=1S/C23H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-15-21(27)17-18-23(28)25-22(20(2)26)16-13-14-19-24/h22H,3-19,24H2,1-2H3,(H,25,28)
InChIKeyWRGJKNZMSFTNDC-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.85
Rot. Bonds20

About N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide

N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide (PubChem CID 153239973) has the molecular formula C23H44N2O3 and a molecular weight of 396.62 g/mol. Its IUPAC name is N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
PubChem CID153239973
Molecular FormulaC23H44N2O3
Molecular Weight396.62 g/mol
Exact Mass396.34
IUPAC NameN-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
SMILESCCCCCCCCCCCCC(=O)CCC(=O)NC(CCCCN)C(C)=O
InChIInChI=1S/C23H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-15-21(27)17-18-23(28)25-22(20(2)26)16-13-14-19-24/h22H,3-19,24H2,1-2H3,(H,25,28)
InChIKeyWRGJKNZMSFTNDC-UHFFFAOYSA-N
XLogP4.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
N-(7-amino-2-oxoheptan-3-yl)-6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanamide
CID 144955370
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
propyl (2S)-6-amino-2-(dodecanoylamino)hexanoate
CID 20606573

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide?
The IUPAC name of N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide (CID 153239973) is N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide.
What is the SMILES notation for N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide?
The canonical SMILES for N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide is CCCCCCCCCCCCC(=O)CCC(=O)NC(CCCCN)C(C)=O.
What is the InChIKey of N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide?
The InChIKey is WRGJKNZMSFTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-15-21(27)17-18-23(28)25-22(20(2)26)16-13-14-19-24/h22H,3-19,24H2,1-2H3,(H,25,28).
What are the key properties of N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide?
N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide has a molecular weight of 396.62 g/mol, XLogP of 4.85, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide is sourced from PubChem (CID 153239973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).