1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

C20H27N3O — CID 3341724

IUPAC1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1
InChIInChI=1S/C20H27N3O/c24-20(22-15-6-2-1-3-7-15)21-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)23-19/h10-12,15,23H,1-9,13H2,(H2,21,22,24)
InChIKeyGFTFRTBNMLBWFD-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.18
Rot. Bonds3

About 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (PubChem CID 3341724) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
PubChem CID3341724
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1
InChIInChI=1S/C20H27N3O/c24-20(22-15-6-2-1-3-7-15)21-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)23-19/h10-12,15,23H,1-9,13H2,(H2,21,22,24)
InChIKeyGFTFRTBNMLBWFD-UHFFFAOYSA-N
XLogP4.18
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 7513965
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (CID 3341724) is 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The InChIKey is GFTFRTBNMLBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20(22-15-6-2-1-3-7-15)21-13-14-10-11-19-17(12-14)16-8-4-5-9-18(16)23-19/h10-12,15,23H,1-9,13H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea has a molecular weight of 325.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is sourced from PubChem (CID 3341724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).