4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide

C20H24N2O2 — CID 35625599

IUPAC4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
SMILESCC[C@H](CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-17(18-7-5-4-6-8-18)14-22-20(24)19-11-9-16(10-12-19)13-21-15(2)23/h4-12,17H,3,13-14H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyCDDVCEFXDYCSEQ-QGZVFWFLSA-N
MW324.42 g/mol
LogP3.25
Rot. Bonds7

About 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide

4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide (PubChem CID 35625599) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
PubChem CID35625599
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
SMILESCC[C@H](CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-17(18-7-5-4-6-8-18)14-22-20(24)19-11-9-16(10-12-19)13-21-15(2)23/h4-12,17H,3,13-14H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyCDDVCEFXDYCSEQ-QGZVFWFLSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide (CID 35625599) is 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide is CC[C@H](CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide?
The InChIKey is CDDVCEFXDYCSEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-17(18-7-5-4-6-8-18)14-22-20(24)19-11-9-16(10-12-19)13-21-15(2)23/h4-12,17H,3,13-14H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide?
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide is sourced from PubChem (CID 35625599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).