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

C14H22N2O2 — CID 54862748

IUPAC2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
SMILESCCOc1cccc(NC(=O)C(N)C(C)CC)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(3)13(15)14(17)16-11-7-6-8-12(9-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUVFNFQUOTAJZQQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds6

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

2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide (PubChem CID 54862748) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
PubChem CID54862748
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
SMILESCCOc1cccc(NC(=O)C(N)C(C)CC)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(3)13(15)14(17)16-11-7-6-8-12(9-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUVFNFQUOTAJZQQ-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
CID 119763991
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
(2S)-2-amino-N-[2-(3-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963498
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide (CID 54862748) is 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide is CCOc1cccc(NC(=O)C(N)C(C)CC)c1.
What is the InChIKey of 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide?
The InChIKey is UVFNFQUOTAJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(3)13(15)14(17)16-11-7-6-8-12(9-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide?
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 54862748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).