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

C16H24N2O3 — CID 110936098

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C16H24N2O3/c1-13-4-2-3-5-14(13)6-9-17-15(19)18-12-16(20)7-10-21-11-8-16/h2-5,20H,6-12H2,1H3,(H2,17,18,19)
InChIKeyASEQZVLRANXHTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.38
Rot. Bonds5

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

1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 110936098) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID110936098
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C16H24N2O3/c1-13-4-2-3-5-14(13)6-9-17-15(19)18-12-16(20)7-10-21-11-8-16/h2-5,20H,6-12H2,1H3,(H2,17,18,19)
InChIKeyASEQZVLRANXHTF-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
1-[(4-hydroxyoxan-4-yl)methyl]-3-[(E)-pent-3-enyl]urea
CID 111337512

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea (CID 110936098) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is ASEQZVLRANXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-4-2-3-5-14(13)6-9-17-15(19)18-12-16(20)7-10-21-11-8-16/h2-5,20H,6-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea?
1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.38, 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-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 110936098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).