1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

C25H28N4O2 — CID 7513965

IUPAC1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESCc1ccc(N2C[C@H](NC(=O)NCc3ccc4[nH]c5c(c4c3)CCCC5)CC2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-16-6-9-19(10-7-16)29-15-18(13-24(29)30)27-25(31)26-14-17-8-11-23-21(12-17)20-4-2-3-5-22(20)28-23/h6-12,18,28H,2-5,13-15H2,1H3,(H2,26,27,31)/t18-/m1/s1
InChIKeyCFUAGWWXGLSUQL-GOSISDBHSA-N
MW416.53 g/mol
LogP3.96
Rot. Bonds4

About 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (PubChem CID 7513965) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
PubChem CID7513965
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESCc1ccc(N2C[C@H](NC(=O)NCc3ccc4[nH]c5c(c4c3)CCCC5)CC2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-16-6-9-19(10-7-16)29-15-18(13-24(29)30)27-25(31)26-14-17-8-11-23-21(12-17)20-4-2-3-5-22(20)28-23/h6-12,18,28H,2-5,13-15H2,1H3,(H2,26,27,31)/t18-/m1/s1
InChIKeyCFUAGWWXGLSUQL-GOSISDBHSA-N
XLogP3.96
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7543292
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 18564333
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125159232
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334
1-(2-chloroethyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513705
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513746
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215036
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7513825

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The IUPAC name of 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (CID 7513965) is 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is Cc1ccc(N2C[C@H](NC(=O)NCc3ccc4[nH]c5c(c4c3)CCCC5)CC2=O)cc1.
What is the InChIKey of 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The InChIKey is CFUAGWWXGLSUQL-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-6-9-19(10-7-16)29-15-18(13-24(29)30)27-25(31)26-14-17-8-11-23-21(12-17)20-4-2-3-5-22(20)28-23/h6-12,18,28H,2-5,13-15H2,1H3,(H2,26,27,31)/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea has a molecular weight of 416.53 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is sourced from PubChem (CID 7513965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).