3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea

C18H27N3O2 — CID 38165863

IUPAC3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-20(18(22)19-16-7-3-4-8-16)14-15-6-2-5-9-17(15)21-10-12-23-13-11-21/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,19,22)
InChIKeyUFPSFJIEUQNZPE-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.61
Rot. Bonds4

About 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea

3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea (PubChem CID 38165863) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
PubChem CID38165863
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-20(18(22)19-16-7-3-4-8-16)14-15-6-2-5-9-17(15)21-10-12-23-13-11-21/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,19,22)
InChIKeyUFPSFJIEUQNZPE-UHFFFAOYSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
N-(cyclohexylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 46631245
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea (CID 38165863) is 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea is CN(Cc1ccccc1N1CCOCC1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is UFPSFJIEUQNZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(18(22)19-16-7-3-4-8-16)14-15-6-2-5-9-17(15)21-10-12-23-13-11-21/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,19,22).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 38165863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).