(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide

C15H24N2O2 — CID 61173731

IUPAC(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-11(4)14(16)15(18)17-12-8-7-10(3)9-13(12)19-6-2/h7-9,11,14H,5-6,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyHVBYZHANSIQGQE-IAXJKZSUSA-N
MW264.37 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide

(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide (PubChem CID 61173731) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
PubChem CID61173731
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-11(4)14(16)15(18)17-12-8-7-10(3)9-13(12)19-6-2/h7-9,11,14H,5-6,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1
InChIKeyHVBYZHANSIQGQE-IAXJKZSUSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide (CID 61173731) is (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide is CCOc1cc(C)ccc1NC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide?
The InChIKey is HVBYZHANSIQGQE-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11(4)14(16)15(18)17-12-8-7-10(3)9-13(12)19-6-2/h7-9,11,14H,5-6,16H2,1-4H3,(H,17,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide is sourced from PubChem (CID 61173731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).