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

C19H29N3O3 — CID 167747139

IUPAC1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2(C)O)c(N2CCOCC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-5-6-15(16(12-14)22-8-10-25-11-9-22)13-20-18(23)21-17-4-3-7-19(17,2)24/h5-6,12,17,24H,3-4,7-11,13H2,1-2H3,(H2,20,21,23)
InChIKeyLIONMRSVJHNXJY-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.93
Rot. Bonds4

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

1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea (PubChem CID 167747139) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
PubChem CID167747139
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2(C)O)c(N2CCOCC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-5-6-15(16(12-14)22-8-10-25-11-9-22)13-20-18(23)21-17-4-3-7-19(17,2)24/h5-6,12,17,24H,3-4,7-11,13H2,1-2H3,(H2,20,21,23)
InChIKeyLIONMRSVJHNXJY-UHFFFAOYSA-N
XLogP1.93
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea with MolForge

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Related Compounds

N-(2,5-Dimethylphenyl)-4-{methyl[(oxolan-2-YL)methyl]amino}piperidine-1-carbothioamide
CID 4112846
1-[2-(Morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea
CID 47265141
(2S,4R)-4-(dimethylamino)-N-(2,5-dimethylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 50953585
1-(3-Methylbutan-2-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 53515638
1-(3-Methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea
CID 71846144
(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide
CID 71855564
1-(4-Hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea
CID 75378432
1-Methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
CID 56801143
(3S)-3-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]morpholine-4-carboxamide
CID 97055241
(2R)-2-(2-hydroxyethyl)-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 97610719
3-(2,5-Diethylphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 100639831
N-(2,5-dimethylphenyl)-N'-[rac-(3R,4R)-4-hydroxypiperidin-3-yl]urea
CID 118786851

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea (CID 167747139) is 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCCC2(C)O)c(N2CCOCC2)c1.
What is the InChIKey of 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is LIONMRSVJHNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-5-6-15(16(12-14)22-8-10-25-11-9-22)13-20-18(23)21-17-4-3-7-19(17,2)24/h5-6,12,17,24H,3-4,7-11,13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea?
1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 347.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 167747139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).