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

C14H21BrN2O — CID 81076217

IUPAC4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(9-16)8-13(18)17-14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeySMMFHYBZIMJFFB-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.79
Rot. Bonds5

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

4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide (PubChem CID 81076217) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
PubChem CID81076217
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(9-16)8-13(18)17-14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeySMMFHYBZIMJFFB-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
2-(4-bromophenyl)-2-(3-methylbutanoylamino)propanoic acid
CID 166317487

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide (CID 81076217) is 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide is CC(CN)CC(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is SMMFHYBZIMJFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(9-16)8-13(18)17-14(2,3)11-4-6-12(15)7-5-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide?
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 81076217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).