2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

C22H28N2O3 — CID 87014264

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN(Cc2ccc(OC)cc2)C2CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-16-19-5-3-4-18(12-19)13-23-22(25)15-24(20-8-9-20)14-17-6-10-21(27-2)11-7-17/h3-7,10-12,20H,8-9,13-16H2,1-2H3,(H,23,25)
InChIKeyYHHADYSPWNIAFV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.12
Rot. Bonds10

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 87014264) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID87014264
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN(Cc2ccc(OC)cc2)C2CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-16-19-5-3-4-18(12-19)13-23-22(25)15-24(20-8-9-20)14-17-6-10-21(27-2)11-7-17/h3-7,10-12,20H,8-9,13-16H2,1-2H3,(H,23,25)
InChIKeyYHHADYSPWNIAFV-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]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

N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (CID 87014264) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is COCc1cccc(CNC(=O)CN(Cc2ccc(OC)cc2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YHHADYSPWNIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-16-19-5-3-4-18(12-19)13-23-22(25)15-24(20-8-9-20)14-17-6-10-21(27-2)11-7-17/h3-7,10-12,20H,8-9,13-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87014264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).