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

C22H24N2O2 — CID 97489146

IUPACN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-26-16-11-12-19-18(14-16)17-8-5-9-20(22(17)24-19)23-21(25)13-10-15-6-3-2-4-7-15/h2-4,6-7,11-12,14,20,24H,5,8-10,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyMQICROXLFLOEKZ-FQEVSTJZSA-N
MW348.45 g/mol
LogP4.30
Rot. Bonds5

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

N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide (PubChem CID 97489146) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
PubChem CID97489146
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-26-16-11-12-19-18(14-16)17-8-5-9-20(22(17)24-19)23-21(25)13-10-15-6-3-2-4-7-15/h2-4,6-7,11-12,14,20,24H,5,8-10,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyMQICROXLFLOEKZ-FQEVSTJZSA-N
XLogP4.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.30
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]-2-phenylacetamide
CID 97487908
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
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
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
5-[(3R)-dithiolan-3-yl]-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pentanamide
CID 110206472
3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97489350
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)-1H-indazole-3-carboxamide
CID 75490269
2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 75490555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The IUPAC name of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide (CID 97489146) is N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The InChIKey is MQICROXLFLOEKZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-16-11-12-19-18(14-16)17-8-5-9-20(22(17)24-19)23-21(25)13-10-15-6-3-2-4-7-15/h2-4,6-7,11-12,14,20,24H,5,8-10,13H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 4.30, 5 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]-3-phenylpropanamide is sourced from PubChem (CID 97489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).