3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea

C23H28N2O3 — CID 95595264

IUPAC3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-27-22-10-7-20(14-19(22)13-17-5-3-2-4-6-17)24-23(26)25(21-8-9-21)15-18-11-12-28-16-18/h2-7,10,14,18,21H,8-9,11-13,15-16H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyBNTIYPFTHURAFE-SFHVURJKSA-N
MW380.49 g/mol
LogP4.32
Rot. Bonds7

About 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea

3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 95595264) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID95595264
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-27-22-10-7-20(14-19(22)13-17-5-3-2-4-6-17)24-23(26)25(21-8-9-21)15-18-11-12-28-16-18/h2-7,10,14,18,21H,8-9,11-13,15-16H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyBNTIYPFTHURAFE-SFHVURJKSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 167926302
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 47033539

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea (CID 95595264) is 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea is COc1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cc1ccccc1.
What is the InChIKey of 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is BNTIYPFTHURAFE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-22-10-7-20(14-19(22)13-17-5-3-2-4-6-17)24-23(26)25(21-8-9-21)15-18-11-12-28-16-18/h2-7,10,14,18,21H,8-9,11-13,15-16H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea?
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 380.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 95595264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).