4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide

C16H25BrN2O2 — CID 21468763

IUPAC4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
SMILESCOc1ccc(Br)cc1CCN(CCCC(N)=O)C(C)C
InChIInChI=1S/C16H25BrN2O2/c1-12(2)19(9-4-5-16(18)20)10-8-13-11-14(17)6-7-15(13)21-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,18,20)
InChIKeyWUYDXWOMINTQES-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.98
Rot. Bonds9

About 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide

4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide (PubChem CID 21468763) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide.

Molecular Properties

Compound Name4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
PubChem CID21468763
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
SMILESCOc1ccc(Br)cc1CCN(CCCC(N)=O)C(C)C
InChIInChI=1S/C16H25BrN2O2/c1-12(2)19(9-4-5-16(18)20)10-8-13-11-14(17)6-7-15(13)21-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,18,20)
InChIKeyWUYDXWOMINTQES-UHFFFAOYSA-N
XLogP2.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
2-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138344
methyl 4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]butanoate
CID 62012294
1-O-[(5-bromo-2-methoxyphenyl)methyl] 5-O-(2-methylpropyl) pentanedioate
CID 91708965
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide?
The IUPAC name of 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide (CID 21468763) is 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide.
What is the SMILES notation for 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide?
The canonical SMILES for 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide is COc1ccc(Br)cc1CCN(CCCC(N)=O)C(C)C.
What is the InChIKey of 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide?
The InChIKey is WUYDXWOMINTQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-12(2)19(9-4-5-16(18)20)10-8-13-11-14(17)6-7-15(13)21-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,18,20).
What are the key properties of 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide?
4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide has a molecular weight of 357.29 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide is sourced from PubChem (CID 21468763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).