1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea

C21H28N2O3 — CID 126423041

IUPAC1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea
SMILESCOc1ccc(CN(C)C(=O)NCCC[C@H]2CCOC2)c2ccccc12
InChIInChI=1S/C21H28N2O3/c1-23(21(24)22-12-5-6-16-11-13-26-15-16)14-17-9-10-20(25-2)19-8-4-3-7-18(17)19/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOIOJHWXLEZJHNT-INIZCTEOSA-N
MW356.47 g/mol
LogP3.81
Rot. Bonds7

About 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea

1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea (PubChem CID 126423041) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea.

Molecular Properties

Compound Name1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea
PubChem CID126423041
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea
SMILESCOc1ccc(CN(C)C(=O)NCCC[C@H]2CCOC2)c2ccccc12
InChIInChI=1S/C21H28N2O3/c1-23(21(24)22-12-5-6-16-11-13-26-15-16)14-17-9-10-20(25-2)19-8-4-3-7-18(17)19/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOIOJHWXLEZJHNT-INIZCTEOSA-N
XLogP3.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]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

2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55575637
4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
CID 126441118
methyl 4-[[methyl-[[(3S)-oxolan-3-yl]methylcarbamoyl]amino]methyl]benzoate
CID 94124279
3-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383088
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 111296030
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 109382907
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
CID 97160391
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea
CID 97437886

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea (CID 126423041) is 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea.
What is the SMILES notation for 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The canonical SMILES for 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea is COc1ccc(CN(C)C(=O)NCCC[C@H]2CCOC2)c2ccccc12.
What is the InChIKey of 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The InChIKey is OIOJHWXLEZJHNT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-23(21(24)22-12-5-6-16-11-13-26-15-16)14-17-9-10-20(25-2)19-8-4-3-7-18(17)19/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea is sourced from PubChem (CID 126423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).