1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea

C16H24N2O3 — CID 75387842

IUPAC1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H24N2O3/c1-15(2,21-3)10-17-14(19)18-11-16(20)9-8-12-6-4-5-7-13(12)16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19)
InChIKeyQLXOKGOWDSOHEN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds5

About 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea (PubChem CID 75387842) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
PubChem CID75387842
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H24N2O3/c1-15(2,21-3)10-17-14(19)18-11-16(20)9-8-12-6-4-5-7-13(12)16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19)
InChIKeyQLXOKGOWDSOHEN-UHFFFAOYSA-N
XLogP1.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)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

methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea (CID 75387842) is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea is COC(C)(C)CNC(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea?
The InChIKey is QLXOKGOWDSOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,21-3)10-17-14(19)18-11-16(20)9-8-12-6-4-5-7-13(12)16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea?
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 75387842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).