N-[(3-ethylphenyl)methyl]-3-methylbutanamide

C14H21NO — CID 70824104

IUPACN-[(3-ethylphenyl)methyl]-3-methylbutanamide
SMILESCCc1cccc(CNC(=O)CC(C)C)c1
InChIInChI=1S/C14H21NO/c1-4-12-6-5-7-13(9-12)10-15-14(16)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyVQDUQXHYGYSPJO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

About N-[(3-ethylphenyl)methyl]-3-methylbutanamide

N-[(3-ethylphenyl)methyl]-3-methylbutanamide (PubChem CID 70824104) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-3-methylbutanamide
PubChem CID70824104
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(3-ethylphenyl)methyl]-3-methylbutanamide
SMILESCCc1cccc(CNC(=O)CC(C)C)c1
InChIInChI=1S/C14H21NO/c1-4-12-6-5-7-13(9-12)10-15-14(16)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyVQDUQXHYGYSPJO-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 174196538
(3-ethylphenyl)methylurea
CID 70298508
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
methyl 3-[(4-methylpentanoylamino)methyl]benzoate
CID 144669400
methyl 2-chloro-5-[(3-methylbutanoylamino)methyl]benzoate
CID 89443118
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(3-ethylphenyl)methyl]-3-methylbutanamide (CID 70824104) is N-[(3-ethylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-3-methylbutanamide is CCc1cccc(CNC(=O)CC(C)C)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-3-methylbutanamide?
The InChIKey is VQDUQXHYGYSPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12-6-5-7-13(9-12)10-15-14(16)8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-ethylphenyl)methyl]-3-methylbutanamide?
N-[(3-ethylphenyl)methyl]-3-methylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 70824104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).