2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide

C14H21ClN2O — CID 79813408

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(16,4-2)13(18)17-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyQQDPWTPAFRPOMW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide

2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide (PubChem CID 79813408) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide
PubChem CID79813408
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(16,4-2)13(18)17-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyQQDPWTPAFRPOMW-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957620
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide (CID 79813408) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is QQDPWTPAFRPOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-14(16,4-2)13(18)17-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide?
2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 79813408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).