4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide

C14H21BrN2O2 — CID 115156776

IUPAC4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(Br)cc1CCNC(=O)CCC(C)N
InChIInChI=1S/C14H21BrN2O2/c1-10(16)3-6-14(18)17-8-7-11-9-12(15)4-5-13(11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyLBBNJFNJJGBPHC-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.24
Rot. Bonds7

About 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide

4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide (PubChem CID 115156776) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
PubChem CID115156776
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(Br)cc1CCNC(=O)CCC(C)N
InChIInChI=1S/C14H21BrN2O2/c1-10(16)3-6-14(18)17-8-7-11-9-12(15)4-5-13(11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyLBBNJFNJJGBPHC-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
CID 115187049
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide (CID 115156776) is 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide is COc1ccc(Br)cc1CCNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide?
The InChIKey is LBBNJFNJJGBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(16)3-6-14(18)17-8-7-11-9-12(15)4-5-13(11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide?
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide has a molecular weight of 329.24 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 115156776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).