(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide

C13H18ClNO2 — CID 94784903

IUPAC(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-3-12(17-2)13(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyZTPDMCKBLVYRLG-GFCCVEGCSA-N
MW255.75 g/mol
LogP2.42
Rot. Bonds6

About (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide

(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide (PubChem CID 94784903) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
PubChem CID94784903
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-3-12(17-2)13(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyZTPDMCKBLVYRLG-GFCCVEGCSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide?
The IUPAC name of (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide (CID 94784903) is (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide.
What is the SMILES notation for (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide?
The canonical SMILES for (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide is CC[C@@H](OC)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide?
The InChIKey is ZTPDMCKBLVYRLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-12(17-2)13(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide?
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide has a molecular weight of 255.75 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide is sourced from PubChem (CID 94784903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).