(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide

C14H21ClN2O2 — CID 15239278

IUPAC(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13(16)14(18)17-8-10(3)19-12-6-4-11(15)5-7-12/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyMSMBLSFZRXRPOH-HQVZTVAUSA-N
MW284.79 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide (PubChem CID 15239278) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
PubChem CID15239278
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13(16)14(18)17-8-10(3)19-12-6-4-11(15)5-7-12/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyMSMBLSFZRXRPOH-HQVZTVAUSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598
(2S)-2-amino-N-[(2S)-2-(4-chloroanilino)pentyl]-3-methylbutanamide
CID 70311839
3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide (CID 15239278) is (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide is CC(CNC(=O)[C@@H](N)C(C)C)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide?
The InChIKey is MSMBLSFZRXRPOH-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)13(16)14(18)17-8-10(3)19-12-6-4-11(15)5-7-12/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.21, 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-(4-chlorophenoxy)propyl]-3-methylbutanamide is sourced from PubChem (CID 15239278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).