N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide

C20H30N2O2 — CID 86965900

IUPACN-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCC(C)CCC2C(C)C)c1
InChIInChI=1S/C20H30N2O2/c1-5-19(23)21-17-8-6-7-16(13-17)20(24)22-12-11-15(4)9-10-18(22)14(2)3/h6-8,13-15,18H,5,9-12H2,1-4H3,(H,21,23)
InChIKeyYWPDWKZRNMZVCL-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.32
Rot. Bonds4

About N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide

N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide (PubChem CID 86965900) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide
PubChem CID86965900
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCC(C)CCC2C(C)C)c1
InChIInChI=1S/C20H30N2O2/c1-5-19(23)21-17-8-6-7-16(13-17)20(24)22-12-11-15(4)9-10-18(22)14(2)3/h6-8,13-15,18H,5,9-12H2,1-4H3,(H,21,23)
InChIKeyYWPDWKZRNMZVCL-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]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

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843134
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
CID 122118740
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 82250545
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one
CID 86966484
2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54819279
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide (CID 86965900) is N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CCC(C)CCC2C(C)C)c1.
What is the InChIKey of N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide?
The InChIKey is YWPDWKZRNMZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-19(23)21-17-8-6-7-16(13-17)20(24)22-12-11-15(4)9-10-18(22)14(2)3/h6-8,13-15,18H,5,9-12H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide?
N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide has a molecular weight of 330.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 86965900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).