N,N-diethyl-3-methoxybenzamide

C12H17NO2 — CID 669438

IUPACN,N-diethyl-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-7-6-8-11(9-10)15-3/h6-9H,4-5H2,1-3H3
InChIKeyYYTOWTFIPGDNDQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.18
Rot. Bonds4

About N,N-diethyl-3-methoxybenzamide

N,N-diethyl-3-methoxybenzamide (PubChem CID 669438) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,N-diethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-methoxybenzamide
PubChem CID669438
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,N-diethyl-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-7-6-8-11(9-10)15-3/h6-9H,4-5H2,1-3H3
InChIKeyYYTOWTFIPGDNDQ-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methoxybenzamide?
The IUPAC name of N,N-diethyl-3-methoxybenzamide (CID 669438) is N,N-diethyl-3-methoxybenzamide.
What is the SMILES notation for N,N-diethyl-3-methoxybenzamide?
The canonical SMILES for N,N-diethyl-3-methoxybenzamide is CCN(CC)C(=O)c1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-3-methoxybenzamide?
The InChIKey is YYTOWTFIPGDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-7-6-8-11(9-10)15-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methoxybenzamide?
N,N-diethyl-3-methoxybenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methoxybenzamide is sourced from PubChem (CID 669438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).