1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

C18H20N2O2 — CID 110746942

IUPAC1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCC1CCOc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-18(19-12-14-6-2-1-3-7-14)20-13-15-10-11-22-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H2,19,20,21)
InChIKeyWWKDJZKVCNMGDF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.05
Rot. Bonds4

About 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea (PubChem CID 110746942) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
PubChem CID110746942
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCC1CCOc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-18(19-12-14-6-2-1-3-7-14)20-13-15-10-11-22-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H2,19,20,21)
InChIKeyWWKDJZKVCNMGDF-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea
CID 97160265
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea (CID 110746942) is 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea is O=C(NCc1ccccc1)NCC1CCOc2ccccc21.
What is the InChIKey of 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea?
The InChIKey is WWKDJZKVCNMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(19-12-14-6-2-1-3-7-14)20-13-15-10-11-22-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea?
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea is sourced from PubChem (CID 110746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).