7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide

C16H25N3O2 — CID 119785013

IUPAC7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
SMILESCC(NC(=O)CCCCCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(16(21)19-14-9-5-4-6-10-14)18-15(20)11-7-2-3-8-12-17/h4-6,9-10,13H,2-3,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKMHPVWBAJCFRAJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.04
Rot. Bonds9

About 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide

7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide (PubChem CID 119785013) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
PubChem CID119785013
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
SMILESCC(NC(=O)CCCCCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(16(21)19-14-9-5-4-6-10-14)18-15(20)11-7-2-3-8-12-17/h4-6,9-10,13H,2-3,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyKMHPVWBAJCFRAJ-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424310
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide (CID 119785013) is 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide is CC(NC(=O)CCCCCCN)C(=O)Nc1ccccc1.
What is the InChIKey of 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide?
The InChIKey is KMHPVWBAJCFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(16(21)19-14-9-5-4-6-10-14)18-15(20)11-7-2-3-8-12-17/h4-6,9-10,13H,2-3,7-8,11-12,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide?
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide has a molecular weight of 291.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide is sourced from PubChem (CID 119785013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).