1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea

C19H22N2O3 — CID 129357143

IUPAC1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESO=C(NC[C@@]1(O)CCOC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18(20-13-19(23)11-12-24-14-19)21-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,23H,11-14H2,(H2,20,21,22)/t19-/m0/s1
InChIKeyMPKDXHYRGPFUCO-IBGZPJMESA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds5

About 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea

1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea (PubChem CID 129357143) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
PubChem CID129357143
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESO=C(NC[C@@]1(O)CCOC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18(20-13-19(23)11-12-24-14-19)21-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,23H,11-14H2,(H2,20,21,22)/t19-/m0/s1
InChIKeyMPKDXHYRGPFUCO-IBGZPJMESA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
CID 126434205
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The IUPAC name of 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea (CID 129357143) is 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea is O=C(NC[C@@]1(O)CCOC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The InChIKey is MPKDXHYRGPFUCO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(20-13-19(23)11-12-24-14-19)21-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,23H,11-14H2,(H2,20,21,22)/t19-/m0/s1.
What are the key properties of 1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.23, 5 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-hydroxyoxolan-3-yl]methyl]urea is sourced from PubChem (CID 129357143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).