N-(2-ethoxyethyl)-N-methylbenzamide

C12H17NO2 — CID 81074695

IUPACN-(2-ethoxyethyl)-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyBQKTZGITEUJCOU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.80
Rot. Bonds5

About N-(2-ethoxyethyl)-N-methylbenzamide

N-(2-ethoxyethyl)-N-methylbenzamide (PubChem CID 81074695) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methylbenzamide
PubChem CID81074695
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-ethoxyethyl)-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyBQKTZGITEUJCOU-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
(E)-3-[3-[2-ethoxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81061843
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
N-(2-ethenoxyethyl)-N-methylbenzamide
CID 154204168
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
(E)-3-[5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81475998
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methylbenzamide (CID 81074695) is N-(2-ethoxyethyl)-N-methylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methylbenzamide is CCOCCN(C)C(=O)c1ccccc1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methylbenzamide?
The InChIKey is BQKTZGITEUJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-10-9-13(2)12(14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methylbenzamide?
N-(2-ethoxyethyl)-N-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 81074695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).