N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide

C15H23BrN2O — CID 119996342

IUPACN-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)NCC(C)CN
InChIInChI=1S/C15H23BrN2O/c1-3-12(15(19)18-10-11(2)9-17)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyUCKMLCWBZILEGD-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.73
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide

N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide (PubChem CID 119996342) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
PubChem CID119996342
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)NCC(C)CN
InChIInChI=1S/C15H23BrN2O/c1-3-12(15(19)18-10-11(2)9-17)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyUCKMLCWBZILEGD-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119996341
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119548358
N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119614689
3-(aminomethyl)-1-(2-bromophenyl)pentan-2-one
CID 116575083
2-[(2-bromophenyl)methyl]-4-methylhexanoic acid
CID 63401905
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119515590
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide (CID 119996342) is N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide is CCC(Cc1ccccc1Br)C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide?
The InChIKey is UCKMLCWBZILEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-12(15(19)18-10-11(2)9-17)8-13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide?
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide has a molecular weight of 327.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide is sourced from PubChem (CID 119996342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).