N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide

C14H21BrN2O — CID 115271775

IUPACN-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
SMILESCC(CN)CNC(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(9-16)10-17-14(18)4-2-3-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,18)
InChIKeyBHQCOYJXAALZRB-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.48
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide

N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide (PubChem CID 115271775) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
PubChem CID115271775
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
SMILESCC(CN)CNC(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(9-16)10-17-14(18)4-2-3-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,18)
InChIKeyBHQCOYJXAALZRB-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-4-(4-bromothiophen-2-yl)butanamide
CID 115271782
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
N-(3-amino-2-methylpropyl)-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 119998242
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
CID 82354216
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
CID 55758909
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide (CID 115271775) is N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide is CC(CN)CNC(=O)CCCc1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide?
The InChIKey is BHQCOYJXAALZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(9-16)10-17-14(18)4-2-3-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide?
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide has a molecular weight of 313.24 g/mol, XLogP of 2.48, 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)-4-(4-bromophenyl)butanamide is sourced from PubChem (CID 115271775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).