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

C12H22N2O2 — CID 58376839

IUPAC1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCO1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-7-14(10-5-6-10)12(15)13-9-11-4-3-8-16-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyCQDSEKNYLRJTNY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds5

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

1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea (PubChem CID 58376839) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
PubChem CID58376839
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCO1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-7-14(10-5-6-10)12(15)13-9-11-4-3-8-16-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyCQDSEKNYLRJTNY-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N'-(tetrahydro-2-furanylmethyl)urea
CID 2886315
N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
CID 38154782
N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
CID 38154784
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
Methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 47392783
N,N-diethyl-2-(oxolan-2-ylmethylcarbamoylamino)propanamide
CID 53625961
1-[2-(Dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
CID 56813970
1-(2-Hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
CID 71846056
1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
1-(3,3-Dimethylbutan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72136625
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea (CID 58376839) is 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea is CCCN(C(=O)NCC1CCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea?
The InChIKey is CQDSEKNYLRJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-7-14(10-5-6-10)12(15)13-9-11-4-3-8-16-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea?
1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea has a molecular weight of 226.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea is sourced from PubChem (CID 58376839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).