N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide

C22H28N2O2 — CID 112985000

IUPACN-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-14-8-17(9-15-21)16-22(25)24-20-12-10-19(11-13-20)23-18-6-4-2-3-5-7-18/h8-15,18,23H,2-7,16H2,1H3,(H,24,25)
InChIKeyIKUNJHJJGMIERQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.01
Rot. Bonds6

About N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 112985000) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID112985000
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-14-8-17(9-15-21)16-22(25)24-20-12-10-19(11-13-20)23-18-6-4-2-3-5-7-18/h8-15,18,23H,2-7,16H2,1H3,(H,24,25)
InChIKeyIKUNJHJJGMIERQ-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)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-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide (CID 112985000) is N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IKUNJHJJGMIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-14-8-17(9-15-21)16-22(25)24-20-12-10-19(11-13-20)23-18-6-4-2-3-5-7-18/h8-15,18,23H,2-7,16H2,1H3,(H,24,25).
What are the key properties of N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 112985000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).