2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide

C23H30N2O3 — CID 9291878

IUPAC2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCCCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-20-11-7-18(8-12-20)23(19-9-13-21(28-2)14-10-19)24-22(26)17-25-15-5-3-4-6-16-25/h7-14,23H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyXHXKZYNJTNICIF-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.79
Rot. Bonds7

About 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide

2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide (PubChem CID 9291878) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide
PubChem CID9291878
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCCCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-20-11-7-18(8-12-20)23(19-9-13-21(28-2)14-10-19)24-22(26)17-25-15-5-3-4-6-16-25/h7-14,23H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyXHXKZYNJTNICIF-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]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

Safinamide
CID 131682
Priralfinamide
CID 5745207
Ambucetamide
CID 10616
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
1-(2-(3-Methoxyphenyl)-1-phenylethyl)piperazine
CID 13904719
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide (CID 9291878) is 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide is COc1ccc(C(NC(=O)CN2CCCCCC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The InChIKey is XHXKZYNJTNICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-20-11-7-18(8-12-20)23(19-9-13-21(28-2)14-10-19)24-22(26)17-25-15-5-3-4-6-16-25/h7-14,23H,3-6,15-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide?
2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[bis(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9291878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).