[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate

C18H19N3O4 — CID 71940095

IUPAC[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate
SMILESCc1ccc(C(=O)N(C)C)cc1OC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C18H19N3O4/c1-11-7-8-12(16(22)21(2)3)10-15(11)25-17(23)13-5-4-6-14(9-13)20-18(19)24/h4-10H,1-3H3,(H3,19,20,24)
InChIKeyAHLBXBSCWPRFJW-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.41
Rot. Bonds4

About [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate

[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate (PubChem CID 71940095) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Name[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate
PubChem CID71940095
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate
SMILESCc1ccc(C(=O)N(C)C)cc1OC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C18H19N3O4/c1-11-7-8-12(16(22)21(2)3)10-15(11)25-17(23)13-5-4-6-14(9-13)20-18(19)24/h4-10H,1-3H3,(H3,19,20,24)
InChIKeyAHLBXBSCWPRFJW-UHFFFAOYSA-N
XLogP2.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
methyl 3-(carbamoylamino)benzoate
CID 2822841
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8603057
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
CID 67213098
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803821
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate?
The IUPAC name of [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate (CID 71940095) is [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate.
What is the SMILES notation for [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate?
The canonical SMILES for [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate is Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate?
The InChIKey is AHLBXBSCWPRFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-7-8-12(16(22)21(2)3)10-15(11)25-17(23)13-5-4-6-14(9-13)20-18(19)24/h4-10H,1-3H3,(H3,19,20,24).
What are the key properties of [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate?
[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate is sourced from PubChem (CID 71940095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).