1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea

C14H20N2O3 — CID 47133588

IUPAC1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)9-15-14(17)16-10-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,15,16,17)
InChIKeyKSRFLFNYTRPHBR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea

1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 47133588) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID47133588
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)9-15-14(17)16-10-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,15,16,17)
InChIKeyKSRFLFNYTRPHBR-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 53011193
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953
1-[[2-(3-methoxyphenyl)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637215
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 18075850
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
1-cyclopropyl-2-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 75364828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea (CID 47133588) is 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea is COc1cccc(CNC(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is KSRFLFNYTRPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-5-2-4-11(8-12)9-15-14(17)16-10-13-6-3-7-19-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 264.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47133588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).