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

C18H18N2O3 — CID 22580776

IUPAC1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2COc3ccccc3C2)c1
InChIInChI=1S/C18H18N2O3/c1-12(21)13-6-4-7-15(9-13)19-18(22)20-16-10-14-5-2-3-8-17(14)23-11-16/h2-9,16H,10-11H2,1H3,(H2,19,20,22)
InChIKeyVXZJCNKLUQHRNY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.01
Rot. Bonds3

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

1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580776) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580776
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2COc3ccccc3C2)c1
InChIInChI=1S/C18H18N2O3/c1-12(21)13-6-4-7-15(9-13)19-18(22)20-16-10-14-5-2-3-8-17(14)23-11-16/h2-9,16H,10-11H2,1H3,(H2,19,20,22)
InChIKeyVXZJCNKLUQHRNY-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)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

1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
1-(3,4-difluorophenyl)-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713549
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea (CID 22580776) is 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea is CC(=O)c1cccc(NC(=O)NC2COc3ccccc3C2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is VXZJCNKLUQHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(21)13-6-4-7-15(9-13)19-18(22)20-16-10-14-5-2-3-8-17(14)23-11-16/h2-9,16H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea?
1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 310.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).