(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide

C14H21BrN2O — CID 103930283

IUPAC(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/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)/t9-,12-/m0/s1
InChIKeyPLIGBETTYOQIAT-CABZTGNLSA-N
MW313.24 g/mol
LogP3.00
Rot. Bonds3

About (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 103930283) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID103930283
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/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)/t9-,12-/m0/s1
InChIKeyPLIGBETTYOQIAT-CABZTGNLSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.00
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
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide (CID 103930283) is (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide is C[C@H](NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is PLIGBETTYOQIAT-CABZTGNLSA-N. The full InChI is InChI=1S/C14H21BrN2O/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)/t9-,12-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103930283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).