2-butyl-N,N-diethyl-4,6-dimethoxybenzamide

C17H27NO3 — CID 86164475

IUPAC2-butyl-N,N-diethyl-4,6-dimethoxybenzamide
SMILESCCCCc1cc(OC)cc(OC)c1C(=O)N(CC)CC
InChIInChI=1S/C17H27NO3/c1-6-9-10-13-11-14(20-4)12-15(21-5)16(13)17(19)18(7-2)8-3/h11-12H,6-10H2,1-5H3
InChIKeyAPZCDNJMGVYRSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.53
Rot. Bonds8

About 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide

2-butyl-N,N-diethyl-4,6-dimethoxybenzamide (PubChem CID 86164475) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide.

Molecular Properties

Compound Name2-butyl-N,N-diethyl-4,6-dimethoxybenzamide
PubChem CID86164475
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-butyl-N,N-diethyl-4,6-dimethoxybenzamide
SMILESCCCCc1cc(OC)cc(OC)c1C(=O)N(CC)CC
InChIInChI=1S/C17H27NO3/c1-6-9-10-13-11-14(20-4)12-15(21-5)16(13)17(19)18(7-2)8-3/h11-12H,6-10H2,1-5H3
InChIKeyAPZCDNJMGVYRSK-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
2,4-dimethoxy-6-pentylphenol
CID 13197794
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
2,4-dimethoxy-6-(2-oxoheptyl)benzoic acid
CID 86198434
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
2-hept-6-enyl-4,6-dimethoxybenzoic acid
CID 134858465
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N,N-diethyl-4,6-dimethoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxamide
CID 11825513

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide?
The IUPAC name of 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide (CID 86164475) is 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide.
What is the SMILES notation for 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide?
The canonical SMILES for 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide is CCCCc1cc(OC)cc(OC)c1C(=O)N(CC)CC.
What is the InChIKey of 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide?
The InChIKey is APZCDNJMGVYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-9-10-13-11-14(20-4)12-15(21-5)16(13)17(19)18(7-2)8-3/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide?
2-butyl-N,N-diethyl-4,6-dimethoxybenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-diethyl-4,6-dimethoxybenzamide is sourced from PubChem (CID 86164475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).