N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide

C22H28N4O3 — CID 17463645

IUPACN-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-29-20-12-8-18(9-13-20)25-22(28)23-16-21(27)24-17-6-10-19(11-7-17)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeyCCKKDIMWGYOFLY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.84
Rot. Bonds6

About N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide

N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide (PubChem CID 17463645) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
PubChem CID17463645
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-29-20-12-8-18(9-13-20)25-22(28)23-16-21(27)24-17-6-10-19(11-7-17)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeyCCKKDIMWGYOFLY-UHFFFAOYSA-N
XLogP3.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]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

2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide
CID 110407330
N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801133
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4849196
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide (CID 17463645) is N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide is COc1ccc(NC(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide?
The InChIKey is CCKKDIMWGYOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-20-12-8-18(9-13-20)25-22(28)23-16-21(27)24-17-6-10-19(11-7-17)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide?
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 17463645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).