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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Related Compounds

3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 110902709
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 126450011
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea
CID 70040355
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 111475205
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396

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).