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

C15H21BrN2O — CID 54870992

IUPAC2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3
InChIKeyIQIVUTBMZYDPSJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.92
Rot. Bonds5

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

2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (PubChem CID 54870992) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
PubChem CID54870992
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3
InChIKeyIQIVUTBMZYDPSJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 77144498
(2S)-2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylbutanamide
CID 66568552
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 77144549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide (CID 54870992) is 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is CC(C)C(N)C(=O)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The InChIKey is IQIVUTBMZYDPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3.
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide?
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide has a molecular weight of 325.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 54870992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).