1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea

C17H24N2O3 — CID 111630644

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1COc2ccccc2C1)NC1CCCCC1CO
InChIInChI=1S/C17H24N2O3/c20-10-13-6-1-3-7-15(13)19-17(21)18-14-9-12-5-2-4-8-16(12)22-11-14/h2,4-5,8,13-15,20H,1,3,6-7,9-11H2,(H2,18,19,21)
InChIKeyAURQMWJSMFVCMS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.84
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea

1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630644) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630644
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1COc2ccccc2C1)NC1CCCCC1CO
InChIInChI=1S/C17H24N2O3/c20-10-13-6-1-3-7-15(13)19-17(21)18-14-9-12-5-2-4-8-16(12)22-11-14/h2,4-5,8,13-15,20H,1,3,6-7,9-11H2,(H2,18,19,21)
InChIKeyAURQMWJSMFVCMS-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
CID 91649447
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 94466747
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630644) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NC1COc2ccccc2C1)NC1CCCCC1CO.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is AURQMWJSMFVCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-10-13-6-1-3-7-15(13)19-17(21)18-14-9-12-5-2-4-8-16(12)22-11-14/h2,4-5,8,13-15,20H,1,3,6-7,9-11H2,(H2,18,19,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 304.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).