N-cycloheptyl-3-(4-phenoxyanilino)propanamide

C22H28N2O2 — CID 109031516

IUPACN-cycloheptyl-3-(4-phenoxyanilino)propanamide
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)NC1CCCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(24-19-8-4-1-2-5-9-19)16-17-23-18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h3,6-7,10-15,19,23H,1-2,4-5,8-9,16-17H2,(H,24,25)
InChIKeyCLYSNODELURIHK-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.12
Rot. Bonds7

About N-cycloheptyl-3-(4-phenoxyanilino)propanamide

N-cycloheptyl-3-(4-phenoxyanilino)propanamide (PubChem CID 109031516) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-phenoxyanilino)propanamide
PubChem CID109031516
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-cycloheptyl-3-(4-phenoxyanilino)propanamide
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)NC1CCCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(24-19-8-4-1-2-5-9-19)16-17-23-18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h3,6-7,10-15,19,23H,1-2,4-5,8-9,16-17H2,(H,24,25)
InChIKeyCLYSNODELURIHK-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-3-(4-phenoxyanilino)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-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-phenoxyanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(4-phenoxyanilino)propanamide (CID 109031516) is N-cycloheptyl-3-(4-phenoxyanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(4-phenoxyanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(4-phenoxyanilino)propanamide is O=C(CCNc1ccc(Oc2ccccc2)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(4-phenoxyanilino)propanamide?
The InChIKey is CLYSNODELURIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(24-19-8-4-1-2-5-9-19)16-17-23-18-12-14-21(15-13-18)26-20-10-6-3-7-11-20/h3,6-7,10-15,19,23H,1-2,4-5,8-9,16-17H2,(H,24,25).
What are the key properties of N-cycloheptyl-3-(4-phenoxyanilino)propanamide?
N-cycloheptyl-3-(4-phenoxyanilino)propanamide has a molecular weight of 352.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 109031516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).