3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea

C16H30N2O — CID 86940440

IUPAC3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NCC1CCCCCCC1
InChIInChI=1S/C16H30N2O/c1-2-18(13-15-10-11-15)16(19)17-12-14-8-6-4-3-5-7-9-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyYYTGVJPOWBBEPP-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds5

About 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea

3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea (PubChem CID 86940440) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea.

Molecular Properties

Compound Name3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
PubChem CID86940440
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NCC1CCCCCCC1
InChIInChI=1S/C16H30N2O/c1-2-18(13-15-10-11-15)16(19)17-12-14-8-6-4-3-5-7-9-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyYYTGVJPOWBBEPP-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107400130
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
1-(cyclobutylmethyl)-1-ethyl-3-[(prop-1-en-2-yloxyamino)methyl]urea
CID 129169041
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
CID 126452399

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea?
The IUPAC name of 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea (CID 86940440) is 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea.
What is the SMILES notation for 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea?
The canonical SMILES for 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea is CCN(CC1CC1)C(=O)NCC1CCCCCCC1.
What is the InChIKey of 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea?
The InChIKey is YYTGVJPOWBBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-18(13-15-10-11-15)16(19)17-12-14-8-6-4-3-5-7-9-14/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea?
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea has a molecular weight of 266.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea is sourced from PubChem (CID 86940440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).