N-(1-phenylbutan-2-yl)acetamide

C12H17NO — CID 2826983

IUPACN-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H17NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,13,14)
InChIKeyIFBDSFPIBUTERT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds4

About N-(1-phenylbutan-2-yl)acetamide

N-(1-phenylbutan-2-yl)acetamide (PubChem CID 2826983) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)acetamide
PubChem CID2826983
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H17NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,13,14)
InChIKeyIFBDSFPIBUTERT-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
2-acetamido-3-phenylpropanamide;ethane
CID 144643683

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)acetamide?
The IUPAC name of N-(1-phenylbutan-2-yl)acetamide (CID 2826983) is N-(1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for N-(1-phenylbutan-2-yl)acetamide?
The canonical SMILES for N-(1-phenylbutan-2-yl)acetamide is CCC(Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-(1-phenylbutan-2-yl)acetamide?
The InChIKey is IFBDSFPIBUTERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,13,14).
What are the key properties of N-(1-phenylbutan-2-yl)acetamide?
N-(1-phenylbutan-2-yl)acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2826983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).