2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide

C19H31NO3 — CID 110300991

IUPAC2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(c1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C19H31NO3/c1-7-11-20(12-8-2)19(21)18(14(3)4)15-9-10-16(22-5)17(13-15)23-6/h9-10,13-14,18H,7-8,11-12H2,1-6H3
InChIKeyQEFOUHYILPDZFM-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.09
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide

2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide (PubChem CID 110300991) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide
PubChem CID110300991
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(c1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C19H31NO3/c1-7-11-20(12-8-2)19(21)18(14(3)4)15-9-10-16(22-5)17(13-15)23-6/h9-10,13-14,18H,7-8,11-12H2,1-6H3
InChIKeyQEFOUHYILPDZFM-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide
CID 108510078
2-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylbutanamide
CID 110300976
2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-propylpropan-1-amine
CID 82214944
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide (CID 110300991) is 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide is CCCN(CCC)C(=O)C(c1ccc(OC)c(OC)c1)C(C)C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide?
The InChIKey is QEFOUHYILPDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-11-20(12-8-2)19(21)18(14(3)4)15-9-10-16(22-5)17(13-15)23-6/h9-10,13-14,18H,7-8,11-12H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide?
2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide has a molecular weight of 321.46 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide is sourced from PubChem (CID 110300991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).