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

C21H22N2O3 — CID 97106424

IUPAC1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-19(18-12-14-26-15-18)11-13-22-21(25)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,14-15,19-20,24H,11,13H2,(H2,22,23,25)/t19-/m0/s1
InChIKeyDFOSAMKUTRRKNU-IBGZPJMESA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds7

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

1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea (PubChem CID 97106424) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
PubChem CID97106424
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-19(18-12-14-26-15-18)11-13-22-21(25)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,14-15,19-20,24H,11,13H2,(H2,22,23,25)/t19-/m0/s1
InChIKeyDFOSAMKUTRRKNU-IBGZPJMESA-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

Analyze 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]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-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 97106399
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993
1-[(4-chlorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106415
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The IUPAC name of 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea (CID 97106424) is 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea is O=C(NCC[C@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The InChIKey is DFOSAMKUTRRKNU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19(18-12-14-26-15-18)11-13-22-21(25)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,14-15,19-20,24H,11,13H2,(H2,22,23,25)/t19-/m0/s1.
What are the key properties of 1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
1-benzhydryl-3-[(3S)-3-(furan-3-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-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea is sourced from PubChem (CID 97106424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).