(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide

C15H23ClN2O2 — CID 119807122

IUPAC(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(20-12-7-5-6-11(16)8-12)9-18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)/t10?,13-/m1/s1
InChIKeyBKBLVARVSXEOBG-JLOHTSLTSA-N
MW298.81 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide (PubChem CID 119807122) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
PubChem CID119807122
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(20-12-7-5-6-11(16)8-12)9-18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)/t10?,13-/m1/s1
InChIKeyBKBLVARVSXEOBG-JLOHTSLTSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
1-tert-butyl-3-[2-(3-chlorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111493859
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide (CID 119807122) is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide is CC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide?
The InChIKey is BKBLVARVSXEOBG-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(20-12-7-5-6-11(16)8-12)9-18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)/t10?,13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide has a molecular weight of 298.81 g/mol, XLogP of 2.60, 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-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119807122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).