N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide

C16H25NO2 — CID 110675714

IUPACN-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
SMILESCCCCN(C)C(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-5-6-10-17(3)16(18)11-13(2)14-8-7-9-15(12-14)19-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyGGRIWAVTMOKHPX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.45
Rot. Bonds7

About N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide

N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide (PubChem CID 110675714) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
PubChem CID110675714
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
SMILESCCCCN(C)C(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-5-6-10-17(3)16(18)11-13(2)14-8-7-9-15(12-14)19-4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyGGRIWAVTMOKHPX-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide
CID 97016190
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
CID 55905708
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
CID 55681602
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163
N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110297393
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide?
The IUPAC name of N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide (CID 110675714) is N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide?
The canonical SMILES for N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide is CCCCN(C)C(=O)CC(C)c1cccc(OC)c1.
What is the InChIKey of N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide?
The InChIKey is GGRIWAVTMOKHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-10-17(3)16(18)11-13(2)14-8-7-9-15(12-14)19-4/h7-9,12-13H,5-6,10-11H2,1-4H3.
What are the key properties of N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide?
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 110675714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).