1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea

C21H22N2O3 — CID 71787781

IUPAC1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
SMILESO=C(NCCC(O)c1ccco1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-18(19-12-7-15-26-19)13-14-22-21(25)23-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18,20,24H,13-14H2,(H2,22,23,25)
InChIKeyRLYBESCJNLJHOL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds7

About 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea

1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea (PubChem CID 71787781) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
PubChem CID71787781
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
SMILESO=C(NCCC(O)c1ccco1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-18(19-12-7-15-26-19)13-14-22-21(25)23-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18,20,24H,13-14H2,(H2,22,23,25)
InChIKeyRLYBESCJNLJHOL-UHFFFAOYSA-N
XLogP3.79
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea?
The IUPAC name of 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea (CID 71787781) is 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea is O=C(NCCC(O)c1ccco1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea?
The InChIKey is RLYBESCJNLJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-18(19-12-7-15-26-19)13-14-22-21(25)23-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18,20,24H,13-14H2,(H2,22,23,25).
What are the key properties of 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea?
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea is sourced from PubChem (CID 71787781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).