1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C18H22N2O4 — CID 75379938

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccco1)NC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H22N2O4/c1-12(10-15(21)17-5-3-9-24-17)19-18(22)20-14-6-7-16-13(11-14)4-2-8-23-16/h3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,19,20,22)
InChIKeyWPGXCRQPZBFAEO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.24
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 75379938) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
PubChem CID75379938
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccco1)NC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H22N2O4/c1-12(10-15(21)17-5-3-9-24-17)19-18(22)20-14-6-7-16-13(11-14)4-2-8-23-16/h3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,19,20,22)
InChIKeyWPGXCRQPZBFAEO-UHFFFAOYSA-N
XLogP3.24
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225246
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414
N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide
CID 97257609
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 75379938) is 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is CC(CC(O)c1ccco1)NC(=O)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The InChIKey is WPGXCRQPZBFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(10-15(21)17-5-3-9-24-17)19-18(22)20-14-6-7-16-13(11-14)4-2-8-23-16/h3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 75379938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).