2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide

C14H21ClN2O — CID 76896717

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-9(10-5-7-11(15)8-6-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyWVUOTMPQTRWPQG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 76896717) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID76896717
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-9(10-5-7-11(15)8-6-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyWVUOTMPQTRWPQG-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide (CID 76896717) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)C(N)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is WVUOTMPQTRWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(10-5-7-11(15)8-6-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76896717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).