4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide

C24H26N2O — CID 27655051

IUPAC4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H26N2O/c1-17-11-13-21(14-12-17)24(27)26-22-9-6-8-20(15-22)16-25-19(3)23-10-5-4-7-18(23)2/h4-15,19,25H,16H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyDMORKIDDDZXERR-IBGZPJMESA-N
MW358.49 g/mol
LogP5.41
Rot. Bonds6

About 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide

4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide (PubChem CID 27655051) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide
PubChem CID27655051
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H26N2O/c1-17-11-13-21(14-12-17)24(27)26-22-9-6-8-20(15-22)16-25-19(3)23-10-5-4-7-18(23)2/h4-15,19,25H,16H2,1-3H3,(H,26,27)/t19-/m0/s1
InChIKeyDMORKIDDDZXERR-IBGZPJMESA-N
XLogP5.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-phenyl-4-[(1-phenylethylamino)methyl]benzamide
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3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide (CID 27655051) is 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3C)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide?
The InChIKey is DMORKIDDDZXERR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O/c1-17-11-13-21(14-12-17)24(27)26-22-9-6-8-20(15-22)16-25-19(3)23-10-5-4-7-18(23)2/h4-15,19,25H,16H2,1-3H3,(H,26,27)/t19-/m0/s1.
What are the key properties of 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide?
4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide has a molecular weight of 358.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 27655051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).