N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide

C15H20N2O3 — CID 145487928

IUPACN-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide
SMILESO=Nc1ccc(NC(=O)CCC2CCCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-15(8-3-12-2-1-10-20-11-9-12)16-13-4-6-14(17-19)7-5-13/h4-7,12H,1-3,8-11H2,(H,16,18)
InChIKeyLTALCMPIRBFBGB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.62
Rot. Bonds5

About N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide

N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide (PubChem CID 145487928) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide
PubChem CID145487928
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide
SMILESO=Nc1ccc(NC(=O)CCC2CCCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-15(8-3-12-2-1-10-20-11-9-12)16-13-4-6-14(17-19)7-5-13/h4-7,12H,1-3,8-11H2,(H,16,18)
InChIKeyLTALCMPIRBFBGB-UHFFFAOYSA-N
XLogP3.62
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide 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

3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
CID 71994809
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide?
The IUPAC name of N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide (CID 145487928) is N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide.
What is the SMILES notation for N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide?
The canonical SMILES for N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide is O=Nc1ccc(NC(=O)CCC2CCCOCC2)cc1.
What is the InChIKey of N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide?
The InChIKey is LTALCMPIRBFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(8-3-12-2-1-10-20-11-9-12)16-13-4-6-14(17-19)7-5-13/h4-7,12H,1-3,8-11H2,(H,16,18).
What are the key properties of N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide?
N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide is sourced from PubChem (CID 145487928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).