N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide

C24H31N3O3 — CID 54823006

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-2-17-30-22-13-11-20(12-14-22)25-18-23(28)26-21-9-7-19(8-10-21)24(29)27-15-5-3-4-6-16-27/h7-14,25H,2-6,15-18H2,1H3,(H,26,28)
InChIKeyXGSBJVJJXJCENV-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.54
Rot. Bonds8

About N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide

N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide (PubChem CID 54823006) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
PubChem CID54823006
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-2-17-30-22-13-11-20(12-14-22)25-18-23(28)26-21-9-7-19(8-10-21)24(29)27-15-5-3-4-6-16-27/h7-14,25H,2-6,15-18H2,1H3,(H,26,28)
InChIKeyXGSBJVJJXJCENV-UHFFFAOYSA-N
XLogP4.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide 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-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide (CID 54823006) is N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The InChIKey is XGSBJVJJXJCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-17-30-22-13-11-20(12-14-22)25-18-23(28)26-21-9-7-19(8-10-21)24(29)27-15-5-3-4-6-16-27/h7-14,25H,2-6,15-18H2,1H3,(H,26,28).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 54823006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).