1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea

C15H23N3O2 — CID 106911627

IUPAC1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea
SMILESCC(C)NCc1cccc(NC(=O)NC2CCOC2)c1
InChIInChI=1S/C15H23N3O2/c1-11(2)16-9-12-4-3-5-13(8-12)17-15(19)18-14-6-7-20-10-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyFUJCUJORBPBDQU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds5

About 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea

1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea (PubChem CID 106911627) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea
PubChem CID106911627
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea
SMILESCC(C)NCc1cccc(NC(=O)NC2CCOC2)c1
InChIInChI=1S/C15H23N3O2/c1-11(2)16-9-12-4-3-5-13(8-12)17-15(19)18-14-6-7-20-10-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyFUJCUJORBPBDQU-UHFFFAOYSA-N
XLogP2.10
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(oxolan-3-ylcarbamoylamino)phenyl]acetamide
CID 118762708
1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
CID 63361993
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-[3-[(propan-2-ylamino)methyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106910792
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
3-[4-(oxolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 104501854
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981
2-fluoro-4-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 107793067
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea?
The IUPAC name of 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea (CID 106911627) is 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea is CC(C)NCc1cccc(NC(=O)NC2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea?
The InChIKey is FUJCUJORBPBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)16-9-12-4-3-5-13(8-12)17-15(19)18-14-6-7-20-10-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea?
1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea has a molecular weight of 277.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea is sourced from PubChem (CID 106911627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).