(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide

C15H23BrN2O — CID 103928581

IUPAC(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)12(17)13(19)18-15(4,5)10-6-8-11(16)9-7-10/h6-9,12H,17H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyDVOWDYSQNSBHRZ-LBPRGKRZSA-N
MW327.27 g/mol
LogP3.17
Rot. Bonds3

About (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 103928581) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID103928581
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-14(2,3)12(17)13(19)18-15(4,5)10-6-8-11(16)9-7-10/h6-9,12H,17H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyDVOWDYSQNSBHRZ-LBPRGKRZSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide (CID 103928581) is (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide is CC(C)(NC(=O)[C@H](N)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is DVOWDYSQNSBHRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2,3)12(17)13(19)18-15(4,5)10-6-8-11(16)9-7-10/h6-9,12H,17H2,1-5H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 327.27 g/mol, XLogP of 3.17, 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-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).