N,N-dibutyl-3,5-dimethoxybenzamide

C17H27NO3 — CID 4198508

IUPACN,N-dibutyl-3,5-dimethoxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H27NO3/c1-5-7-9-18(10-8-6-2)17(19)14-11-15(20-3)13-16(12-14)21-4/h11-13H,5-10H2,1-4H3
InChIKeyPMSIJOHSIPBHJH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.75
Rot. Bonds9

About N,N-dibutyl-3,5-dimethoxybenzamide

N,N-dibutyl-3,5-dimethoxybenzamide (PubChem CID 4198508) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-dibutyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN,N-dibutyl-3,5-dimethoxybenzamide
PubChem CID4198508
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN,N-dibutyl-3,5-dimethoxybenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H27NO3/c1-5-7-9-18(10-8-6-2)17(19)14-11-15(20-3)13-16(12-14)21-4/h11-13H,5-10H2,1-4H3
InChIKeyPMSIJOHSIPBHJH-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-4-methoxybenzamide
CID 2163395
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
CID 18822917
ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
CID 142843916
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-butyl-N-[(2-chloroquinolin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 42706440
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3,5-dimethoxybenzamide?
The IUPAC name of N,N-dibutyl-3,5-dimethoxybenzamide (CID 4198508) is N,N-dibutyl-3,5-dimethoxybenzamide.
What is the SMILES notation for N,N-dibutyl-3,5-dimethoxybenzamide?
The canonical SMILES for N,N-dibutyl-3,5-dimethoxybenzamide is CCCCN(CCCC)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N,N-dibutyl-3,5-dimethoxybenzamide?
The InChIKey is PMSIJOHSIPBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-7-9-18(10-8-6-2)17(19)14-11-15(20-3)13-16(12-14)21-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-dibutyl-3,5-dimethoxybenzamide?
N,N-dibutyl-3,5-dimethoxybenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 4198508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).