1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea

C14H16N2O4 — CID 75417545

IUPAC1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C14H16N2O4/c1-9(8-19-2)15-14(18)16-11-4-5-12-10(7-11)3-6-13(17)20-12/h3-7,9H,8H2,1-2H3,(H2,15,16,18)
InChIKeyDVAZBPVVFKIYQE-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.95
Rot. Bonds4

About 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea

1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea (PubChem CID 75417545) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
PubChem CID75417545
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C14H16N2O4/c1-9(8-19-2)15-14(18)16-11-4-5-12-10(7-11)3-6-13(17)20-12/h3-7,9H,8H2,1-2H3,(H2,15,16,18)
InChIKeyDVAZBPVVFKIYQE-UHFFFAOYSA-N
XLogP1.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-methyl-N-[(2-oxochromen-6-yl)carbamothioyl]propanamide
CID 953736
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
1-(2-bromoprop-2-enyl)-3-(2-oxochromen-6-yl)urea
CID 47440425
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea (CID 75417545) is 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea is COCC(C)NC(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea?
The InChIKey is DVAZBPVVFKIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(8-19-2)15-14(18)16-11-4-5-12-10(7-11)3-6-13(17)20-12/h3-7,9H,8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea?
1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea has a molecular weight of 276.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea is sourced from PubChem (CID 75417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).