4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide

C18H21N3O3 — CID 60602931

IUPAC4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
SMILESCc1ccc(OCCNC(=O)Nc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-3-7-15(8-4-12)24-10-9-20-18(23)21-16-11-14(17(19)22)6-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyGKRIQTAPZHSVNT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.60
Rot. Bonds6

About 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide

4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide (PubChem CID 60602931) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
PubChem CID60602931
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
SMILESCc1ccc(OCCNC(=O)Nc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-3-7-15(8-4-12)24-10-9-20-18(23)21-16-11-14(17(19)22)6-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyGKRIQTAPZHSVNT-UHFFFAOYSA-N
XLogP2.60
TPSA93.45 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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide
CID 60602927
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
CID 60602890
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide?
The IUPAC name of 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide (CID 60602931) is 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide.
What is the SMILES notation for 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide?
The canonical SMILES for 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide is Cc1ccc(OCCNC(=O)Nc2cc(C(N)=O)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide?
The InChIKey is GKRIQTAPZHSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-3-7-15(8-4-12)24-10-9-20-18(23)21-16-11-14(17(19)22)6-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H2,20,21,23).
What are the key properties of 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide?
4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 60602931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).