1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea

C16H24N2O2 — CID 91914989

IUPAC1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(13-15-8-11-20-12-9-15)16(19)17-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyBHHNMGXIYCDCRR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea

1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea (PubChem CID 91914989) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea
PubChem CID91914989
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(13-15-8-11-20-12-9-15)16(19)17-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyBHHNMGXIYCDCRR-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
4-benzyl-N-propylpiperidine-1-carboxamide
CID 6469905
3,3-Dimethyl-1-(2-phenylethyl)urea
CID 12441924
N-(3-phenylpropyl)oxane-4-carboxamide
CID 51354589
Urea, 1-ethyl-3-phenethyl-
CID 3051652
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-Benzyl-3-(2-(2-((cyclohexylmethyl)(ethyl)amino)ethoxy)ethyl)urea
CID 11726118
4-benzyl-N-propan-2-ylpiperidine-1-carboxamide
CID 10777770
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Cyclohexylethyl)-3-(3-phenylpropyl)urea
CID 108888715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea (CID 91914989) is 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea is CN(CC1CCOCC1)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea?
The InChIKey is BHHNMGXIYCDCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(13-15-8-11-20-12-9-15)16(19)17-10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19).
What are the key properties of 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea?
1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-4-ylmethyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 91914989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).