1-(2-methyloxan-4-yl)-3-propylurea

C10H20N2O2 — CID 103887319

IUPAC1-(2-methyloxan-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-5-11-10(13)12-9-4-6-14-8(2)7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyBZUFFUBGJDLLNY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds3

About 1-(2-methyloxan-4-yl)-3-propylurea

1-(2-methyloxan-4-yl)-3-propylurea (PubChem CID 103887319) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methyloxan-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2-methyloxan-4-yl)-3-propylurea
PubChem CID103887319
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-methyloxan-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCOC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-5-11-10(13)12-9-4-6-14-8(2)7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyBZUFFUBGJDLLNY-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
1-cyclopentyl-3-propylurea
CID 14343339
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
(2S)-3-methyl-2-[(2-methyloxan-4-yl)carbamoylamino]butanoic acid
CID 113364577
1-[(2R)-2-(4-methoxyphenoxy)propyl]-3-[(2R,4R)-2-methyloxan-4-yl]urea
CID 125136206
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
CID 114107781
1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
CID 130626358
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-4-yl)-3-propylurea?
The IUPAC name of 1-(2-methyloxan-4-yl)-3-propylurea (CID 103887319) is 1-(2-methyloxan-4-yl)-3-propylurea.
What is the SMILES notation for 1-(2-methyloxan-4-yl)-3-propylurea?
The canonical SMILES for 1-(2-methyloxan-4-yl)-3-propylurea is CCCNC(=O)NC1CCOC(C)C1.
What is the InChIKey of 1-(2-methyloxan-4-yl)-3-propylurea?
The InChIKey is BZUFFUBGJDLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-11-10(13)12-9-4-6-14-8(2)7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(2-methyloxan-4-yl)-3-propylurea?
1-(2-methyloxan-4-yl)-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-4-yl)-3-propylurea is sourced from PubChem (CID 103887319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).