7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide

C17H27N3O2 — CID 119750951

IUPAC7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
SMILESCC(NC(=O)CCCCCCN)C(=O)NCc1ccccc1
InChIInChI=1S/C17H27N3O2/c1-14(20-16(21)11-7-2-3-8-12-18)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyVCJKTPDSRRYNEV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.72
Rot. Bonds10

About 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide

7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide (PubChem CID 119750951) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
PubChem CID119750951
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
SMILESCC(NC(=O)CCCCCCN)C(=O)NCc1ccccc1
InChIInChI=1S/C17H27N3O2/c1-14(20-16(21)11-7-2-3-8-12-18)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyVCJKTPDSRRYNEV-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.72
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

2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
CID 119785013
(2R)-2-(5-aminopentylamino)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 175129810
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
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
(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
CID 11381255
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide (CID 119750951) is 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide is CC(NC(=O)CCCCCCN)C(=O)NCc1ccccc1.
What is the InChIKey of 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide?
The InChIKey is VCJKTPDSRRYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(20-16(21)11-7-2-3-8-12-18)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide?
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide has a molecular weight of 305.42 g/mol, XLogP of 1.72, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide is sourced from PubChem (CID 119750951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).