(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide

C13H19ClN2O2 — CID 61179599

IUPAC(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)C(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-13(17)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDRYMKDFULFYTGW-LBPRGKRZSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide

(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide (PubChem CID 61179599) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
PubChem CID61179599
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)C(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-13(17)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDRYMKDFULFYTGW-LBPRGKRZSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
CID 65290958
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
(2S)-2-amino-N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide (CID 61179599) is (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide is CCOc1ccc(NC(=O)[C@@H](N)C(C)C)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide?
The InChIKey is DRYMKDFULFYTGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(7-10(11)14)16-13(17)12(15)8(2)3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide?
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 61179599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).