3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide

C15H21BrN2O — CID 64684688

IUPAC3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)(N)CC(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-15(2,17)9-14(19)18(12-7-8-12)10-11-5-3-4-6-13(11)16/h3-6,12H,7-10,17H2,1-2H3
InChIKeyJQONCAKQFMNCFX-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide

3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (PubChem CID 64684688) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
PubChem CID64684688
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)(N)CC(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-15(2,17)9-14(19)18(12-7-8-12)10-11-5-3-4-6-13(11)16/h3-6,12H,7-10,17H2,1-2H3
InChIKeyJQONCAKQFMNCFX-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (CID 64684688) is 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is CC(C)(N)CC(=O)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The InChIKey is JQONCAKQFMNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,17)9-14(19)18(12-7-8-12)10-11-5-3-4-6-13(11)16/h3-6,12H,7-10,17H2,1-2H3.
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide has a molecular weight of 325.25 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 64684688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).