3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

C18H21N3O4 — CID 9225229

IUPAC3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(10-11-25-16-8-6-15(24-2)7-9-16)17(22)13-4-3-5-14(12-13)20-18(19)23/h3-9,12H,10-11H2,1-2H3,(H3,19,20,23)
InChIKeyXKRCSETZAOHJOH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.34
Rot. Bonds7

About 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (PubChem CID 9225229) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
PubChem CID9225229
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(10-11-25-16-8-6-15(24-2)7-9-16)17(22)13-4-3-5-14(12-13)20-18(19)23/h3-9,12H,10-11H2,1-2H3,(H3,19,20,23)
InChIKeyXKRCSETZAOHJOH-UHFFFAOYSA-N
XLogP2.34
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 47067365
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (CID 9225229) is 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is COc1ccc(OCCN(C)C(=O)c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is XKRCSETZAOHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(10-11-25-16-8-6-15(24-2)7-9-16)17(22)13-4-3-5-14(12-13)20-18(19)23/h3-9,12H,10-11H2,1-2H3,(H3,19,20,23).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 9225229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).