3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide

C21H27NO — CID 100549740

IUPAC3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27NO/c1-5-20(19-11-6-15(2)7-12-19)22-21(23)13-10-18-9-8-16(3)17(4)14-18/h6-9,11-12,14,20H,5,10,13H2,1-4H3,(H,22,23)/t20-/m0/s1
InChIKeySFNWADBMGSGZDQ-FQEVSTJZSA-N
MW309.45 g/mol
LogP4.81
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide

3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide (PubChem CID 100549740) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
PubChem CID100549740
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27NO/c1-5-20(19-11-6-15(2)7-12-19)22-21(23)13-10-18-9-8-16(3)17(4)14-18/h6-9,11-12,14,20H,5,10,13H2,1-4H3,(H,22,23)/t20-/m0/s1
InChIKeySFNWADBMGSGZDQ-FQEVSTJZSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]butanamide
CID 43905927
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132665209
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide (CID 100549740) is 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide is CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(C)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is SFNWADBMGSGZDQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-20(19-11-6-15(2)7-12-19)22-21(23)13-10-18-9-8-16(3)17(4)14-18/h6-9,11-12,14,20H,5,10,13H2,1-4H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 100549740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).