1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea

C15H23N3O2 — CID 61339515

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-11(16-2)12-4-3-5-14(10-12)18-15(19)17-13-6-8-20-9-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,17,18,19)
InChIKeyVWGKGYZGVSLYDK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea (PubChem CID 61339515) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
PubChem CID61339515
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-11(16-2)12-4-3-5-14(10-12)18-15(19)17-13-6-8-20-9-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,17,18,19)
InChIKeyVWGKGYZGVSLYDK-UHFFFAOYSA-N
XLogP2.27
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
CID 114539731
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
CID 106197622
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
CID 63361993
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea (CID 61339515) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea is CNC(C)c1cccc(NC(=O)NC2CCOCC2)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea?
The InChIKey is VWGKGYZGVSLYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(16-2)12-4-3-5-14(10-12)18-15(19)17-13-6-8-20-9-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 61339515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).