2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide

C19H22N2O3 — CID 91319967

IUPAC2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-21(2)19(23)17-7-5-4-6-16(17)14-8-10-15(11-9-14)18(22)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyLDDSGNQZDKBVFW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide

2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide (PubChem CID 91319967) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
PubChem CID91319967
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-21(2)19(23)17-7-5-4-6-16(17)14-8-10-15(11-9-14)18(22)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyLDDSGNQZDKBVFW-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide
CID 126432805
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide (CID 91319967) is 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide is COCCNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is LDDSGNQZDKBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)19(23)17-7-5-4-6-16(17)14-8-10-15(11-9-14)18(22)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide?
2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 91319967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).