2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C24H22N2O4 — CID 97489059

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)ccc12
InChIInChI=1S/C24H22N2O4/c1-14-11-23(28)30-21-12-15(9-10-16(14)21)29-13-22(27)25-20-8-4-6-18-17-5-2-3-7-19(17)26-24(18)20/h2-3,5,7,9-12,20,26H,4,6,8,13H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyMORFSAKEURYSSE-HXUWFJFHSA-N
MW402.45 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 97489059) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID97489059
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)ccc12
InChIInChI=1S/C24H22N2O4/c1-14-11-23(28)30-21-12-15(9-10-16(14)21)29-13-22(27)25-20-8-4-6-18-17-5-2-3-7-19(17)26-24(18)20/h2-3,5,7,9-12,20,26H,4,6,8,13H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyMORFSAKEURYSSE-HXUWFJFHSA-N
XLogP4.16
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 75491916
2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418545
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 75491673
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7468906
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide
CID 9412292
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 97489059) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is MORFSAKEURYSSE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14-11-23(28)30-21-12-15(9-10-16(14)21)29-13-22(27)25-20-8-4-6-18-17-5-2-3-7-19(17)26-24(18)20/h2-3,5,7,9-12,20,26H,4,6,8,13H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 97489059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).