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

C21H22N2O2 — CID 97487908

IUPACN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-25-15-10-11-18-17(13-15)16-8-5-9-19(21(16)23-18)22-20(24)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,13,19,23H,5,8-9,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyPXGACHQHACFNIR-IBGZPJMESA-N
MW334.42 g/mol
LogP3.91
Rot. Bonds4

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

N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide (PubChem CID 97487908) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
PubChem CID97487908
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-25-15-10-11-18-17(13-15)16-8-5-9-19(21(16)23-18)22-20(24)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,13,19,23H,5,8-9,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyPXGACHQHACFNIR-IBGZPJMESA-N
XLogP3.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 75490555
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide (CID 97487908) is N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide?
The InChIKey is PXGACHQHACFNIR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-15-10-11-18-17(13-15)16-8-5-9-19(21(16)23-18)22-20(24)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,13,19,23H,5,8-9,12H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide?
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide is sourced from PubChem (CID 97487908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).