3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide

C23H28BrNO3 — CID 55575014

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccc(OC)c(Br)c2)C(C)C2CC2)cc1
InChIInChI=1S/C23H28BrNO3/c1-16(19-8-9-19)25(15-18-4-10-20(27-2)11-5-18)23(26)13-7-17-6-12-22(28-3)21(24)14-17/h4-6,10-12,14,16,19H,7-9,13,15H2,1-3H3
InChIKeyCJBCFSHLJMVEDY-UHFFFAOYSA-N
MW446.39 g/mol
LogP5.23
Rot. Bonds9

About 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 55575014) has the molecular formula C23H28BrNO3 and a molecular weight of 446.39 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID55575014
Molecular FormulaC23H28BrNO3
Molecular Weight446.39 g/mol
Exact Mass445.13
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccc(OC)c(Br)c2)C(C)C2CC2)cc1
InChIInChI=1S/C23H28BrNO3/c1-16(19-8-9-19)25(15-18-4-10-20(27-2)11-5-18)23(26)13-7-17-6-12-22(28-3)21(24)14-17/h4-6,10-12,14,16,19H,7-9,13,15H2,1-3H3
InChIKeyCJBCFSHLJMVEDY-UHFFFAOYSA-N
XLogP5.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]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-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 55551923
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132718653
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 55575014) is 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCc2ccc(OC)c(Br)c2)C(C)C2CC2)cc1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is CJBCFSHLJMVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrNO3/c1-16(19-8-9-19)25(15-18-4-10-20(27-2)11-5-18)23(26)13-7-17-6-12-22(28-3)21(24)14-17/h4-6,10-12,14,16,19H,7-9,13,15H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 446.39 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55575014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).