2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide

C18H21N3O3 — CID 110606666

IUPAC2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H21N3O3/c1-19-17(22)14-8-4-5-9-15(14)21-18(23)20-12-11-13-7-3-6-10-16(13)24-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyPYPDFRPWIOQMRD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide

2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide (PubChem CID 110606666) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
PubChem CID110606666
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H21N3O3/c1-19-17(22)14-8-4-5-9-15(14)21-18(23)20-12-11-13-7-3-6-10-16(13)24-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyPYPDFRPWIOQMRD-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide (CID 110606666) is 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)NCCc1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide?
The InChIKey is PYPDFRPWIOQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-19-17(22)14-8-4-5-9-15(14)21-18(23)20-12-11-13-7-3-6-10-16(13)24-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide?
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 110606666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).