(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide

C23H26N2O3 — CID 92709260

IUPAC(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@H](CC(=O)NCc2ccc(C)cc2)n2cccc2)c1OC
InChIInChI=1S/C23H26N2O3/c1-17-9-11-18(12-10-17)16-24-22(26)15-20(25-13-4-5-14-25)19-7-6-8-21(27-2)23(19)28-3/h4-14,20H,15-16H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyMHGUAQWLYQZNCU-FQEVSTJZSA-N
MW378.47 g/mol
LogP4.11
Rot. Bonds8

About (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide

(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide (PubChem CID 92709260) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
PubChem CID92709260
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@H](CC(=O)NCc2ccc(C)cc2)n2cccc2)c1OC
InChIInChI=1S/C23H26N2O3/c1-17-9-11-18(12-10-17)16-24-22(26)15-20(25-13-4-5-14-25)19-7-6-8-21(27-2)23(19)28-3/h4-14,20H,15-16H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyMHGUAQWLYQZNCU-FQEVSTJZSA-N
XLogP4.11
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
(3R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709492
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342720
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide (CID 92709260) is (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide is COc1cccc([C@H](CC(=O)NCc2ccc(C)cc2)n2cccc2)c1OC.
What is the InChIKey of (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is MHGUAQWLYQZNCU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-9-11-18(12-10-17)16-24-22(26)15-20(25-13-4-5-14-25)19-7-6-8-21(27-2)23(19)28-3/h4-14,20H,15-16H2,1-3H3,(H,24,26)/t20-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 378.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).