3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

C18H21NO3 — CID 94012593

IUPAC3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO3/c1-12-5-7-14(8-6-12)13(2)19-18(20)15-9-16(21-3)11-17(10-15)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyMMQKHYUUKZBUEW-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds5

About 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 94012593) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID94012593
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO3/c1-12-5-7-14(8-6-12)13(2)19-18(20)15-9-16(21-3)11-17(10-15)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyMMQKHYUUKZBUEW-ZDUSSCGKSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 107868799
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (CID 94012593) is 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is MMQKHYUUKZBUEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-5-7-14(8-6-12)13(2)19-18(20)15-9-16(21-3)11-17(10-15)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 94012593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).