N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide

C18H21NO2 — CID 78780692

IUPACN-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-4-21-17-11-7-15(8-12-17)13-19(3)18(20)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3
InChIKeyQBYOEJNYEXRDAS-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.67
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide

N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 78780692) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
PubChem CID78780692
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-4-21-17-11-7-15(8-12-17)13-19(3)18(20)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3
InChIKeyQBYOEJNYEXRDAS-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-[(4-ethoxyphenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044703
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 55833445
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650557
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide (CID 78780692) is N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide is CCOc1ccc(CN(C)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is QBYOEJNYEXRDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-17-11-7-15(8-12-17)13-19(3)18(20)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide?
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 78780692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).