2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide

C14H21BrN2O3 — CID 119316740

IUPAC2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-4-5-11(16)14(18)17-8-9-6-12(19-2)13(20-3)7-10(9)15/h6-7,11H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyKNLPXDXNLINOTP-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide

2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide (PubChem CID 119316740) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
PubChem CID119316740
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-4-5-11(16)14(18)17-8-9-6-12(19-2)13(20-3)7-10(9)15/h6-7,11H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyKNLPXDXNLINOTP-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 120668226
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
ethyl (2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutanoate
CID 134973675
4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
(2S)-2,6-diamino-N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]hexanamide
CID 168944871

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide (CID 119316740) is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide is CCCC(N)C(=O)NCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide?
The InChIKey is KNLPXDXNLINOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-4-5-11(16)14(18)17-8-9-6-12(19-2)13(20-3)7-10(9)15/h6-7,11H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide?
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide has a molecular weight of 345.24 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 119316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).