1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea

C13H24N2O2 — CID 58376008

IUPAC1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCCO1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-8-15(11-6-7-11)13(16)14-10-12-5-3-4-9-17-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyFQKNUWWTHXQOMG-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds5

About 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea

1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea (PubChem CID 58376008) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea
PubChem CID58376008
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCCO1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-8-15(11-6-7-11)13(16)14-10-12-5-3-4-9-17-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyFQKNUWWTHXQOMG-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-methylpiperidine-1-carboxamide
CID 41256086
2-methyl-N-[2-(oxolan-2-yl)ethyl]piperidine-1-carboxamide
CID 60472158
N-(1-cyclopropylethyl)-3-ethoxypiperidine-1-carboxamide
CID 71937232
1-(2-Methoxycyclohexyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 72116468
3-[(3S,4S)-4-methoxyoxan-3-yl]-1,1-dimethylurea
CID 164633554
1-(2-Fluoroethyl)-3-(2-propoxycyclohexyl)urea
CID 88976838
4-(diethylamino)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 72153048
(2S,6R)-N-cyclohexyl-2,6-dimethylmorpholine-4-carboxamide
CID 92642305
N-cyclohexyl-2,6-dimethyl-4-morpholinecarboxamide
CID 3613777
1-Cyclopropyl-3-(4-methoxycyclohexyl)-1-propylurea
CID 58376434
1-Cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
CID 58376839
N-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 67299509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea (CID 58376008) is 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea is CCCN(C(=O)NCC1CCCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea?
The InChIKey is FQKNUWWTHXQOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-8-15(11-6-7-11)13(16)14-10-12-5-3-4-9-17-12/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea?
1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea has a molecular weight of 240.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea is sourced from PubChem (CID 58376008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).