1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea

C22H25N3O2 — CID 125122227

IUPAC1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)NCCc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-27-16-10-11-19-18(14-16)17-8-5-9-20(21(17)24-19)25-22(26)23-13-12-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,20,24H,5,8-9,12-13H2,1H3,(H2,23,25,26)/t20-/m0/s1
InChIKeyGIWVKBNIPLPJGW-FQEVSTJZSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds5

About 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea

1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea (PubChem CID 125122227) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
PubChem CID125122227
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)NCCc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-27-16-10-11-19-18(14-16)17-8-5-9-20(21(17)24-19)25-22(26)23-13-12-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,20,24H,5,8-9,12-13H2,1H3,(H2,23,25,26)/t20-/m0/s1
InChIKeyGIWVKBNIPLPJGW-FQEVSTJZSA-N
XLogP4.10
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
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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Launch Full Analysis

Related Compounds

1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125123129
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea (CID 125122227) is 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea?
The InChIKey is GIWVKBNIPLPJGW-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-16-10-11-19-18(14-16)17-8-5-9-20(21(17)24-19)25-22(26)23-13-12-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,20,24H,5,8-9,12-13H2,1H3,(H2,23,25,26)/t20-/m0/s1.
What are the key properties of 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea?
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea has a molecular weight of 363.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 125122227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).