4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide

C17H19N3O3 — CID 52793053

IUPAC4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
SMILESCOCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-18-17(22)20-15-9-7-13(8-10-15)16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyCGHLXLBYAPPZSM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.71
Rot. Bonds6

About 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide

4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide (PubChem CID 52793053) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
PubChem CID52793053
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
SMILESCOCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-18-17(22)20-15-9-7-13(8-10-15)16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyCGHLXLBYAPPZSM-UHFFFAOYSA-N
XLogP2.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.71
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

4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide?
The IUPAC name of 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide (CID 52793053) is 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide.
What is the SMILES notation for 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide?
The canonical SMILES for 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide is COCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide?
The InChIKey is CGHLXLBYAPPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-12-11-18-17(22)20-15-9-7-13(8-10-15)16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide?
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide has a molecular weight of 313.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide is sourced from PubChem (CID 52793053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).