(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide

C12H17BrN2O — CID 61149215

IUPAC(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-6-4-8(13)5-7-9/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyNCBGWMIIWYNKID-SNVBAGLBSA-N
MW285.19 g/mol
LogP2.76
Rot. Bonds2

About (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide (PubChem CID 61149215) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
PubChem CID61149215
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-6-4-8(13)5-7-9/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyNCBGWMIIWYNKID-SNVBAGLBSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2S)-2-amino-3,3-dimethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119704534
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 119703637
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide (CID 61149215) is (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide?
The InChIKey is NCBGWMIIWYNKID-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-6-4-8(13)5-7-9/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61149215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).