2-amino-N-(2-ethylphenyl)-3-methylpentanamide

C14H22N2O — CID 24700876

IUPAC2-amino-N-(2-ethylphenyl)-3-methylpentanamide
SMILESCCc1ccccc1NC(=O)C(N)C(C)CC
InChIInChI=1S/C14H22N2O/c1-4-10(3)13(15)14(17)16-12-9-7-6-8-11(12)5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyXTRVACWDMHRFET-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-N-(2-ethylphenyl)-3-methylpentanamide

2-amino-N-(2-ethylphenyl)-3-methylpentanamide (PubChem CID 24700876) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylphenyl)-3-methylpentanamide
PubChem CID24700876
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(2-ethylphenyl)-3-methylpentanamide
SMILESCCc1ccccc1NC(=O)C(N)C(C)CC
InChIInChI=1S/C14H22N2O/c1-4-10(3)13(15)14(17)16-12-9-7-6-8-11(12)5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyXTRVACWDMHRFET-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
CID 119752267
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-ethylphenyl)-3-methylpentanamide (CID 24700876) is 2-amino-N-(2-ethylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-ethylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-ethylphenyl)-3-methylpentanamide is CCc1ccccc1NC(=O)C(N)C(C)CC.
What is the InChIKey of 2-amino-N-(2-ethylphenyl)-3-methylpentanamide?
The InChIKey is XTRVACWDMHRFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10(3)13(15)14(17)16-12-9-7-6-8-11(12)5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethylphenyl)-3-methylpentanamide?
2-amino-N-(2-ethylphenyl)-3-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylphenyl)-3-methylpentanamide is sourced from PubChem (CID 24700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).