2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide

C20H24N2O2 — CID 27856977

IUPAC2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-7-19(17-8-5-4-6-9-17)22-20(24)14-16-10-12-18(13-11-16)21-15(2)23/h4-6,8-13,19H,3,7,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyQHFPDTVOZRAILI-LJQANCHMSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide

2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide (PubChem CID 27856977) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
PubChem CID27856977
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-7-19(17-8-5-4-6-9-17)22-20(24)14-16-10-12-18(13-11-16)21-15(2)23/h4-6,8-13,19H,3,7,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyQHFPDTVOZRAILI-LJQANCHMSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]azanium
CID 9348221
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573256
1-phenylbutylurea
CID 2852079
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide (CID 27856977) is 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide is CCC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide?
The InChIKey is QHFPDTVOZRAILI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-7-19(17-8-5-4-6-9-17)22-20(24)14-16-10-12-18(13-11-16)21-15(2)23/h4-6,8-13,19H,3,7,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide?
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide is sourced from PubChem (CID 27856977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).