(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide

C15H23ClN2O2 — CID 61165412

IUPAC(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-11(2)9-14(17)15(19)18(3)7-8-20-13-6-4-5-12(16)10-13/h4-6,10-11,14H,7-9,17H2,1-3H3/t14-/m0/s1
InChIKeyLSBYKFWRVHRCIO-AWEZNQCLSA-N
MW298.81 g/mol
LogP2.55
Rot. Bonds7

About (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide

(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide (PubChem CID 61165412) 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)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
PubChem CID61165412
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-11(2)9-14(17)15(19)18(3)7-8-20-13-6-4-5-12(16)10-13/h4-6,10-11,14H,7-9,17H2,1-3H3/t14-/m0/s1
InChIKeyLSBYKFWRVHRCIO-AWEZNQCLSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
(2S)-2-amino-N,4-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119753772
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide (CID 61165412) is (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide is CC(C)C[C@H](N)C(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The InChIKey is LSBYKFWRVHRCIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11(2)9-14(17)15(19)18(3)7-8-20-13-6-4-5-12(16)10-13/h4-6,10-11,14H,7-9,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide has a molecular weight of 298.81 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 61165412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).