1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea

C16H19N3O5 — CID 7996338

IUPAC1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H19N3O5/c1-3-6-17-16(22)19-18-14(20)9-23-11-4-5-12-10(2)7-15(21)24-13(12)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,20)(H2,17,19,22)
InChIKeyVJWXGKSERISXSV-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.22
Rot. Bonds5

About 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea

1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea (PubChem CID 7996338) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea.

Molecular Properties

Compound Name1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
PubChem CID7996338
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H19N3O5/c1-3-6-17-16(22)19-18-14(20)9-23-11-4-5-12-10(2)7-15(21)24-13(12)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,20)(H2,17,19,22)
InChIKeyVJWXGKSERISXSV-UHFFFAOYSA-N
XLogP1.22
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26752508
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea?
The IUPAC name of 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea (CID 7996338) is 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea.
What is the SMILES notation for 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea?
The canonical SMILES for 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea is CCCNC(=O)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea?
The InChIKey is VJWXGKSERISXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-6-17-16(22)19-18-14(20)9-23-11-4-5-12-10(2)7-15(21)24-13(12)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,20)(H2,17,19,22).
What are the key properties of 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea?
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea has a molecular weight of 333.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea is sourced from PubChem (CID 7996338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).