3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one

C14H21NO4 — CID 103967344

IUPAC3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-17-7-6-11(15)9-12(16)10-4-5-13(18-2)14(8-10)19-3/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyNEVCIWCNORTWRZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.64
Rot. Bonds8

About 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one

3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one (PubChem CID 103967344) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one
PubChem CID103967344
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one
SMILESCOCCC(N)CC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-17-7-6-11(15)9-12(16)10-4-5-13(18-2)14(8-10)19-3/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyNEVCIWCNORTWRZ-UHFFFAOYSA-N
XLogP1.64
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-one
CID 112629850
3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
CID 103967319
3-amino-1-(4-chloro-3-methoxyphenyl)hexan-1-one
CID 116607960
3-amino-1-(3,4-diethoxyphenyl)hexan-1-one
CID 116607978
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 81463484
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393
3-amino-1-(2-bromophenyl)-5-methoxypentan-1-one
CID 103967309
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one?
The IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one (CID 103967344) is 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one is COCCC(N)CC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one?
The InChIKey is NEVCIWCNORTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-7-6-11(15)9-12(16)10-4-5-13(18-2)14(8-10)19-3/h4-5,8,11H,6-7,9,15H2,1-3H3.
What are the key properties of 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one?
3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one has a molecular weight of 267.32 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethoxyphenyl)-5-methoxypentan-1-one is sourced from PubChem (CID 103967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).