N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

C27H28N2O5 — CID 75491916

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NC3CCCc4c3[nH]c3ccc(OC)cc43)ccc12
InChIInChI=1S/C27H28N2O5/c1-3-5-16-12-26(31)34-24-14-18(8-10-19(16)24)33-15-25(30)28-23-7-4-6-20-21-13-17(32-2)9-11-22(21)29-27(20)23/h8-14,23,29H,3-7,15H2,1-2H3,(H,28,30)
InChIKeyWGRORTOHRUMKBM-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.81
Rot. Bonds7

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 75491916) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID75491916
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NC3CCCc4c3[nH]c3ccc(OC)cc43)ccc12
InChIInChI=1S/C27H28N2O5/c1-3-5-16-12-26(31)34-24-14-18(8-10-19(16)24)33-15-25(30)28-23-7-4-6-20-21-13-17(32-2)9-11-22(21)29-27(20)23/h8-14,23,29H,3-7,15H2,1-2H3,(H,28,30)
InChIKeyWGRORTOHRUMKBM-UHFFFAOYSA-N
XLogP4.81
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97489059
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97487705
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124878912
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 4904725
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418545

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 75491916) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)NC3CCCc4c3[nH]c3ccc(OC)cc43)ccc12.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is WGRORTOHRUMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-3-5-16-12-26(31)34-24-14-18(8-10-19(16)24)33-15-25(30)28-23-7-4-6-20-21-13-17(32-2)9-11-22(21)29-27(20)23/h8-14,23,29H,3-7,15H2,1-2H3,(H,28,30).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide has a molecular weight of 460.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 75491916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).