ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide

C14H23NO — CID 169133923

IUPACethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCC.Cc1cccc(CNC(=O)C(C)C)c1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)12(14)13-8-11-6-4-5-10(3)7-11;1-2/h4-7,9H,8H2,1-3H3,(H,13,14);1-2H3
InChIKeyKLJIPKIROSLLKQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.29
Rot. Bonds3

About ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide

ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 169133923) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
PubChem CID169133923
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCC.Cc1cccc(CNC(=O)C(C)C)c1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)12(14)13-8-11-6-4-5-10(3)7-11;1-2/h4-7,9H,8H2,1-3H3,(H,13,14);1-2H3
InChIKeyKLJIPKIROSLLKQ-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2-bromo-3-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 60913283
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
(3-methylphenyl)methylurea
CID 60776531
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide (CID 169133923) is ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide is CC.Cc1cccc(CNC(=O)C(C)C)c1.
What is the InChIKey of ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is KLJIPKIROSLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-9(2)12(14)13-8-11-6-4-5-10(3)7-11;1-2/h4-7,9H,8H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide?
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 221.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 169133923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).