5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide

C15H23N3O4 — CID 118766247

IUPAC5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCCCN(CCO)C(=O)Nc1ccc(OC)c(C(=O)NC)c1
InChIInChI=1S/C15H23N3O4/c1-4-7-18(8-9-19)15(21)17-11-5-6-13(22-3)12(10-11)14(20)16-2/h5-6,10,19H,4,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyQEXCLAFFKQARMA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.29
Rot. Bonds7

About 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide

5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide (PubChem CID 118766247) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
PubChem CID118766247
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCCCN(CCO)C(=O)Nc1ccc(OC)c(C(=O)NC)c1
InChIInChI=1S/C15H23N3O4/c1-4-7-18(8-9-19)15(21)17-11-5-6-13(22-3)12(10-11)14(20)16-2/h5-6,10,19H,4,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyQEXCLAFFKQARMA-UHFFFAOYSA-N
XLogP1.29
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide (CID 118766247) is 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide is CCCN(CCO)C(=O)Nc1ccc(OC)c(C(=O)NC)c1.
What is the InChIKey of 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The InChIKey is QEXCLAFFKQARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-7-18(8-9-19)15(21)17-11-5-6-13(22-3)12(10-11)14(20)16-2/h5-6,10,19H,4,7-9H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide?
5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 118766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).