N-[(2-ethylphenyl)methyl]-2-methylpropanamide

C13H19NO — CID 64694185

IUPACN-[(2-ethylphenyl)methyl]-2-methylpropanamide
SMILESCCc1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C13H19NO/c1-4-11-7-5-6-8-12(11)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyUHIHBHSHJXKIRA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-methylpropanamide

N-[(2-ethylphenyl)methyl]-2-methylpropanamide (PubChem CID 64694185) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-methylpropanamide
PubChem CID64694185
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2-ethylphenyl)methyl]-2-methylpropanamide
SMILESCCc1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C13H19NO/c1-4-11-7-5-6-8-12(11)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyUHIHBHSHJXKIRA-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142489172
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N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
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N-[(2-ethylphenyl)methyl]-2-propan-2-yloxyacetamide
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2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
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(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-methylpropanamide (CID 64694185) is N-[(2-ethylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-methylpropanamide is CCc1ccccc1CNC(=O)C(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-methylpropanamide?
The InChIKey is UHIHBHSHJXKIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11-7-5-6-8-12(11)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-ethylphenyl)methyl]-2-methylpropanamide?
N-[(2-ethylphenyl)methyl]-2-methylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 64694185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).