1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea

C20H30N2O3 — CID 110936718

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
SMILESCc1cccc(C2(CNC(=O)NCC3(O)CCOCC3)CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-16-5-4-6-17(13-16)19(7-2-3-8-19)14-21-18(23)22-15-20(24)9-11-25-12-10-20/h4-6,13,24H,2-3,7-12,14-15H2,1H3,(H2,21,22,23)
InChIKeyIJENECWGNNMLHZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.65
Rot. Bonds5

About 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea

1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea (PubChem CID 110936718) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
PubChem CID110936718
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
SMILESCc1cccc(C2(CNC(=O)NCC3(O)CCOCC3)CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-16-5-4-6-17(13-16)19(7-2-3-8-19)14-21-18(23)22-15-20(24)9-11-25-12-10-20/h4-6,13,24H,2-3,7-12,14-15H2,1H3,(H2,21,22,23)
InChIKeyIJENECWGNNMLHZ-UHFFFAOYSA-N
XLogP2.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea 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

3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 129487146
N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55802503
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]oxamide
CID 86882996

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea (CID 110936718) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea is Cc1cccc(C2(CNC(=O)NCC3(O)CCOCC3)CCCC2)c1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea?
The InChIKey is IJENECWGNNMLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-5-4-6-17(13-16)19(7-2-3-8-19)14-21-18(23)22-15-20(24)9-11-25-12-10-20/h4-6,13,24H,2-3,7-12,14-15H2,1H3,(H2,21,22,23).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea?
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea is sourced from PubChem (CID 110936718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).