N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide

C28H40N4O4 — CID 91040807

IUPACN-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide
SMILESCC(=O)CCCCCCNC(=O)c1cccc(N)c1.CC(=O)c1ccc(NC(=O)CCCCN)cc1
InChIInChI=1S/C15H22N2O2.C13H18N2O2/c1-12(18)7-4-2-3-5-10-17-15(19)13-8-6-9-14(16)11-13;1-10(16)11-5-7-12(8-6-11)15-13(17)4-2-3-9-14/h6,8-9,11H,2-5,7,10,16H2,1H3,(H,17,19);5-8H,2-4,9,14H2,1H3,(H,15,17)
InChIKeyAWMATGIJPKYUHU-UHFFFAOYSA-N
MW496.65 g/mol
LogP4.49
Rot. Bonds14

About N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide

N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide (PubChem CID 91040807) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide
PubChem CID91040807
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC NameN-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide
SMILESCC(=O)CCCCCCNC(=O)c1cccc(N)c1.CC(=O)c1ccc(NC(=O)CCCCN)cc1
InChIInChI=1S/C15H22N2O2.C13H18N2O2/c1-12(18)7-4-2-3-5-10-17-15(19)13-8-6-9-14(16)11-13;1-10(16)11-5-7-12(8-6-11)15-13(17)4-2-3-9-14/h6,8-9,11H,2-5,7,10,16H2,1H3,(H,17,19);5-8H,2-4,9,14H2,1H3,(H,15,17)
InChIKeyAWMATGIJPKYUHU-UHFFFAOYSA-N
XLogP4.49
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
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3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
S-[2-[[6-(4-acetylanilino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 11660578
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(6-aminohexanoylamino)benzamide
CID 24702559
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
3-[3-(3-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795602
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide (CID 91040807) is N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide is CC(=O)CCCCCCNC(=O)c1cccc(N)c1.CC(=O)c1ccc(NC(=O)CCCCN)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide?
The InChIKey is AWMATGIJPKYUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.C13H18N2O2/c1-12(18)7-4-2-3-5-10-17-15(19)13-8-6-9-14(16)11-13;1-10(16)11-5-7-12(8-6-11)15-13(17)4-2-3-9-14/h6,8-9,11H,2-5,7,10,16H2,1H3,(H,17,19);5-8H,2-4,9,14H2,1H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide?
N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide has a molecular weight of 496.65 g/mol, XLogP of 4.49, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide is sourced from PubChem (CID 91040807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).