N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide

C16H25NO3 — CID 71106778

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)15(11-13)20-4/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyPXHYEAUHECITRD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide (PubChem CID 71106778) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
PubChem CID71106778
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)15(11-13)20-4/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyPXHYEAUHECITRD-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 124908731
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide (CID 71106778) is N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide is CCCC(=O)N(CCC)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide?
The InChIKey is PXHYEAUHECITRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)15(11-13)20-4/h8-9,11H,5-7,10,12H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide is sourced from PubChem (CID 71106778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).