N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C23H30N2O — CID 94014052

IUPACN-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H30N2O/c1-4-22(21-10-7-17(2)18(3)15-21)24-23(26)20-11-8-19(9-12-20)16-25-13-5-6-14-25/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyYCUOZQKVOIBLKN-JOCHJYFZSA-N
MW350.51 g/mol
LogP4.78
Rot. Bonds6

About N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 94014052) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID94014052
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C23H30N2O/c1-4-22(21-10-7-17(2)18(3)15-21)24-23(26)20-11-8-19(9-12-20)16-25-13-5-6-14-25/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyYCUOZQKVOIBLKN-JOCHJYFZSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94014059
N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46766736
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210076
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
4-chloro-N-[1-(3,4-dimethylphenyl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 132670385
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 94014052) is N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide is CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is YCUOZQKVOIBLKN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-4-22(21-10-7-17(2)18(3)15-21)24-23(26)20-11-8-19(9-12-20)16-25-13-5-6-14-25/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 350.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 94014052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).