1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea

C20H25N3O3 — CID 91786692

IUPAC1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-5-7-16(8-6-15)12-22-20(24)23-18-14-25-11-9-19(18)26-13-17-4-2-3-10-21-17/h2-8,10,18-19H,9,11-14H2,1H3,(H2,22,23,24)/t18-,19-/m1/s1
InChIKeyOBDUGESWWFKJNF-RTBURBONSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea

1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea (PubChem CID 91786692) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
PubChem CID91786692
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
SMILESCc1ccc(CNC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-5-7-16(8-6-15)12-22-20(24)23-18-14-25-11-9-19(18)26-13-17-4-2-3-10-21-17/h2-8,10,18-19H,9,11-14H2,1H3,(H2,22,23,24)/t18-,19-/m1/s1
InChIKeyOBDUGESWWFKJNF-RTBURBONSA-N
XLogP2.56
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91764941
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
CID 91767547
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea (CID 91786692) is 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea is Cc1ccc(CNC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea?
The InChIKey is OBDUGESWWFKJNF-RTBURBONSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-5-7-16(8-6-15)12-22-20(24)23-18-14-25-11-9-19(18)26-13-17-4-2-3-10-21-17/h2-8,10,18-19H,9,11-14H2,1H3,(H2,22,23,24)/t18-,19-/m1/s1.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea?
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea is sourced from PubChem (CID 91786692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).