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

C13H19BrN2O — CID 54923979

IUPAC3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(15)8-12(17)16-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyDQGQJIAJHXAAQH-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.54
Rot. Bonds4

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

3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide (PubChem CID 54923979) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
PubChem CID54923979
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
SMILESCC(N)CC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(15)8-12(17)16-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyDQGQJIAJHXAAQH-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
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
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
2-(4-bromophenyl)-2-(3-methylbutanoylamino)propanoic acid
CID 166317487
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide (CID 54923979) is 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide is CC(N)CC(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide?
The InChIKey is DQGQJIAJHXAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(15)8-12(17)16-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide?
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide has a molecular weight of 299.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 54923979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).