1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea

C15H23N3O2 — CID 71852786

IUPAC1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(CNc1ccccc1)NC(=O)NCC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-12(10-16-13-6-3-2-4-7-13)18-15(19)17-11-14-8-5-9-20-14/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19)
InChIKeyJYQLVXZOXXFJBS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.97
Rot. Bonds6

About 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea

1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 71852786) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID71852786
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(CNc1ccccc1)NC(=O)NCC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-12(10-16-13-6-3-2-4-7-13)18-15(19)17-11-14-8-5-9-20-14/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19)
InChIKeyJYQLVXZOXXFJBS-UHFFFAOYSA-N
XLogP1.97
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea (CID 71852786) is 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea is CC(CNc1ccccc1)NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is JYQLVXZOXXFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(10-16-13-6-3-2-4-7-13)18-15(19)17-11-14-8-5-9-20-14/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71852786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).