1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

C18H26N2O3 — CID 22580903

IUPAC1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)NC1CCCCCC1)CO2
InChIInChI=1S/C18H26N2O3/c1-22-16-8-9-17-13(11-16)10-15(12-23-17)20-18(21)19-14-6-4-2-3-5-7-14/h8-9,11,14-15H,2-7,10,12H2,1H3,(H2,19,20,21)
InChIKeyLQNQCMGSBNHEBJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.02
Rot. Bonds3

About 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580903) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580903
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)NC1CCCCCC1)CO2
InChIInChI=1S/C18H26N2O3/c1-22-16-8-9-17-13(11-16)10-15(12-23-17)20-18(21)19-14-6-4-2-3-5-7-14/h8-9,11,14-15H,2-7,10,12H2,1H3,(H2,19,20,21)
InChIKeyLQNQCMGSBNHEBJ-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
4-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014602

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 22580903) is 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is COc1ccc2c(c1)CC(NC(=O)NC1CCCCCC1)CO2.
What is the InChIKey of 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is LQNQCMGSBNHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-16-8-9-17-13(11-16)10-15(12-23-17)20-18(21)19-14-6-4-2-3-5-7-14/h8-9,11,14-15H,2-7,10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 318.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).