N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide

C15H23NO2 — CID 110762336

IUPACN,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13-8-9-14(12(5)10-13)18-11(3)4/h8-11H,6-7H2,1-5H3
InChIKeyLBWVVJRKFGMCRP-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.26
Rot. Bonds5

About N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide

N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide (PubChem CID 110762336) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
PubChem CID110762336
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13-8-9-14(12(5)10-13)18-11(3)4/h8-11H,6-7H2,1-5H3
InChIKeyLBWVVJRKFGMCRP-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65376123
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide
CID 143134984
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide (CID 110762336) is N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide is CCN(CC)C(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide?
The InChIKey is LBWVVJRKFGMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13-8-9-14(12(5)10-13)18-11(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide?
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 110762336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).