1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea

C16H24N2O2 — CID 71686920

IUPAC1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea
SMILESCC1(CNC(=O)NCCc2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-16(8-11-20-12-9-16)13-18-15(19)17-10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H2,17,18,19)
InChIKeyKJXZYXNSWHMSDV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds5

About 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea

1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea (PubChem CID 71686920) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea
PubChem CID71686920
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea
SMILESCC1(CNC(=O)NCCc2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-16(8-11-20-12-9-16)13-18-15(19)17-10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H2,17,18,19)
InChIKeyKJXZYXNSWHMSDV-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)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

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
Urea, 1-ethyl-3-phenethyl-
CID 3051652
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(Oxan-4-ylmethyl)-3-(3-phenylpropyl)urea
CID 108913037
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
1-[(4-Fluorophenyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38279896
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686940
1-[(3-Fluorophenyl)methyl]-3-(2-methoxyethyl)-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686961
1-Cycloheptyl-3-{[4-(4-fluorophenyl)oxan-4-yl]methyl}urea
CID 71796603

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea (CID 71686920) is 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea is CC1(CNC(=O)NCCc2ccccc2)CCOCC1.
What is the InChIKey of 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is KJXZYXNSWHMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(8-11-20-12-9-16)13-18-15(19)17-10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea?
1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyloxan-4-yl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 71686920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).