N-ethyl-2-methyl-3-phenylpropanamide

C12H17NO — CID 58846627

IUPACN-ethyl-2-methyl-3-phenylpropanamide
SMILESCCNC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-13-12(14)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyPICFFIUYBBWXPT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-2-methyl-3-phenylpropanamide

N-ethyl-2-methyl-3-phenylpropanamide (PubChem CID 58846627) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-phenylpropanamide
PubChem CID58846627
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-2-methyl-3-phenylpropanamide
SMILESCCNC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-13-12(14)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyPICFFIUYBBWXPT-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-cyano-2-methyl-3-phenylpropanamide
CID 14174699
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-methyl-3-phenylpropanamide (CID 58846627) is N-ethyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-methyl-3-phenylpropanamide is CCNC(=O)C(C)Cc1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-3-phenylpropanamide?
The InChIKey is PICFFIUYBBWXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-13-12(14)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-2-methyl-3-phenylpropanamide?
N-ethyl-2-methyl-3-phenylpropanamide has a molecular weight of 191.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 58846627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).