N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide

C22H23N3O3 — CID 124877959

IUPACN-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-28-15-10-11-18-17(12-15)16-8-5-9-19(21(16)25-18)24-20(26)13-23-22(27)14-6-3-2-4-7-14/h2-4,6-7,10-12,19,25H,5,8-9,13H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyJSKLZVPWOUTSPN-LJQANCHMSA-N
MW377.44 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide

N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide (PubChem CID 124877959) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
PubChem CID124877959
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-28-15-10-11-18-17(12-15)16-8-5-9-19(21(16)25-18)24-20(26)13-23-22(27)14-6-3-2-4-7-14/h2-4,6-7,10-12,19,25H,5,8-9,13H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyJSKLZVPWOUTSPN-LJQANCHMSA-N
XLogP3.10
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
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-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
5-[(3R)-dithiolan-3-yl]-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pentanamide
CID 110206472
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
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
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide (CID 124877959) is N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide is COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is JSKLZVPWOUTSPN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-15-10-11-18-17(12-15)16-8-5-9-19(21(16)25-18)24-20(26)13-23-22(27)14-6-3-2-4-7-14/h2-4,6-7,10-12,19,25H,5,8-9,13H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 124877959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).