1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

C19H27N3O3 — CID 118775470

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC1CCC(=O)N1c1cccc(NC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-8-9-17(23)22(14)16-7-5-6-15(12-16)21-18(24)20-13-19(25)10-3-2-4-11-19/h5-7,12,14,25H,2-4,8-11,13H2,1H3,(H2,20,21,24)
InChIKeySXPBYVLQJSDXFO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.02
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 118775470) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID118775470
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC1CCC(=O)N1c1cccc(NC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-8-9-17(23)22(14)16-7-5-6-15(12-16)21-18(24)20-13-19(25)10-3-2-4-11-19/h5-7,12,14,25H,2-4,8-11,13H2,1H3,(H2,20,21,24)
InChIKeySXPBYVLQJSDXFO-UHFFFAOYSA-N
XLogP3.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]urea
CID 97434234
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
CID 131933787

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (CID 118775470) is 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is CC1CCC(=O)N1c1cccc(NC(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is SXPBYVLQJSDXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-8-9-17(23)22(14)16-7-5-6-15(12-16)21-18(24)20-13-19(25)10-3-2-4-11-19/h5-7,12,14,25H,2-4,8-11,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 118775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).