2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide

C14H21BrN2O — CID 43697992

IUPAC2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-9(2)12(16)13(18)17-14(3,4)10-5-7-11(15)8-6-10/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyXOCCDPCNVJTVOR-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds4

About 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide

2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide (PubChem CID 43697992) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
PubChem CID43697992
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-9(2)12(16)13(18)17-14(3,4)10-5-7-11(15)8-6-10/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyXOCCDPCNVJTVOR-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
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
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
CID 103732827
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide (CID 43697992) is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide is CC(C)C(N)C(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is XOCCDPCNVJTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(2)12(16)13(18)17-14(3,4)10-5-7-11(15)8-6-10/h5-9,12H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 43697992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).