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

C14H21ClN2O — CID 113353557

IUPAC2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)C(N)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)/t9-,12?/m0/s1
InChIKeyQFZRDANUIKQTQO-QHGLUPRGSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds3

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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 113353557) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID113353557
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)C(N)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)/t9-,12?/m0/s1
InChIKeyQFZRDANUIKQTQO-QHGLUPRGSA-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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
(2S)-2-amino-N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3,3-dimethylbutanamide;hydrochloride
CID 119819992
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide (CID 113353557) is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide is C[C@H](NC(=O)C(N)C(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is QFZRDANUIKQTQO-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)/t9-,12?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide?
2-amino-N-[(1S)-1-(3-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-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 113353557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).