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

C18H20N2O2 — CID 110866349

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)17(12)20-18(21)19-15-10-11-22-16-9-4-3-8-14(15)16/h3-9,15H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyGDNIGGCUFWJGMU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.95
Rot. Bonds2

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea (PubChem CID 110866349) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
PubChem CID110866349
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)17(12)20-18(21)19-15-10-11-22-16-9-4-3-8-14(15)16/h3-9,15H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyGDNIGGCUFWJGMU-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea (CID 110866349) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is GDNIGGCUFWJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)17(12)20-18(21)19-15-10-11-22-16-9-4-3-8-14(15)16/h3-9,15H,10-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 110866349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).