N-benzyl-N-nitrosopentanamide

C12H16N2O2 — CID 102399989

IUPACN-benzyl-N-nitrosopentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)N=O
InChIInChI=1S/C12H16N2O2/c1-2-3-9-12(15)14(13-16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKeyXMJZXWKTKZXKQX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.89
Rot. Bonds6

About N-benzyl-N-nitrosopentanamide

N-benzyl-N-nitrosopentanamide (PubChem CID 102399989) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-benzyl-N-nitrosopentanamide.

Molecular Properties

Compound NameN-benzyl-N-nitrosopentanamide
PubChem CID102399989
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-benzyl-N-nitrosopentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)N=O
InChIInChI=1S/C12H16N2O2/c1-2-3-9-12(15)14(13-16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKeyXMJZXWKTKZXKQX-UHFFFAOYSA-N
XLogP2.89
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzyl-N-nitrosopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-hydroxy-N-phenylpentanamide
CID 13199036
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-hexylnitrous amide
CID 172967726
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-nitrosopentanamide?
The IUPAC name of N-benzyl-N-nitrosopentanamide (CID 102399989) is N-benzyl-N-nitrosopentanamide.
What is the SMILES notation for N-benzyl-N-nitrosopentanamide?
The canonical SMILES for N-benzyl-N-nitrosopentanamide is CCCCC(=O)N(Cc1ccccc1)N=O.
What is the InChIKey of N-benzyl-N-nitrosopentanamide?
The InChIKey is XMJZXWKTKZXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-9-12(15)14(13-16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3.
What are the key properties of N-benzyl-N-nitrosopentanamide?
N-benzyl-N-nitrosopentanamide has a molecular weight of 220.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-nitrosopentanamide is sourced from PubChem (CID 102399989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).