3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

C16H24N2O3 — CID 91905721

IUPAC3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-9-18(11-13-8-10-21-12-13)16(19)17-14-6-4-5-7-15(14)20-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyABFMJJCSZDKBLY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.98
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (PubChem CID 91905721) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
PubChem CID91905721
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-9-18(11-13-8-10-21-12-13)16(19)17-14-6-4-5-7-15(14)20-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyABFMJJCSZDKBLY-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea 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-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea
CID 715557
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
CID 61011322
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 41430702
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521
(3R)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718891
(3S)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718890
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The IUPAC name of 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (CID 91905721) is 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is CCCN(CC1CCOC1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The InChIKey is ABFMJJCSZDKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-9-18(11-13-8-10-21-12-13)16(19)17-14-6-4-5-7-15(14)20-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea has a molecular weight of 292.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is sourced from PubChem (CID 91905721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).