1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea

C17H26N2O3 — CID 110936500

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCC(C)C(NC(=O)NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(2)15(14-6-4-3-5-7-14)19-16(20)18-12-17(21)8-10-22-11-9-17/h3-7,13,15,21H,8-12H2,1-2H3,(H2,18,19,20)
InChIKeyMHZLLUWYLRMXRC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.22
Rot. Bonds5

About 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea

1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea (PubChem CID 110936500) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
PubChem CID110936500
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCC(C)C(NC(=O)NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(2)15(14-6-4-3-5-7-14)19-16(20)18-12-17(21)8-10-22-11-9-17/h3-7,13,15,21H,8-12H2,1-2H3,(H2,18,19,20)
InChIKeyMHZLLUWYLRMXRC-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)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

1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95969362

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea (CID 110936500) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea is CC(C)C(NC(=O)NCC1(O)CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The InChIKey is MHZLLUWYLRMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)15(14-6-4-3-5-7-14)19-16(20)18-12-17(21)8-10-22-11-9-17/h3-7,13,15,21H,8-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.22, 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-(2-methyl-1-phenylpropyl)urea is sourced from PubChem (CID 110936500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).