5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide

C16H23BrN2O — CID 82011057

IUPAC5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
SMILESCC(CN)CCC(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H23BrN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3
InChIKeyCKZORLMXNURNNJ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.32
Rot. Bonds7

About 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide

5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide (PubChem CID 82011057) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
PubChem CID82011057
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
SMILESCC(CN)CCC(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H23BrN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3
InChIKeyCKZORLMXNURNNJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
4-amino-N-[(2-chlorophenyl)methyl]-N-cyclopentylpentanamide;hydrochloride
CID 120562365
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide?
The IUPAC name of 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide (CID 82011057) is 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide is CC(CN)CCC(=O)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide?
The InChIKey is CKZORLMXNURNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3.
What are the key properties of 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide?
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide has a molecular weight of 339.28 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide is sourced from PubChem (CID 82011057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).