2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide

C22H20N2O5 — CID 4893603

IUPAC2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(N)=O)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C22H20N2O5/c1-12-9-17(20-13-6-4-7-14(13)22(27)29-18(20)10-12)28-11-19(25)24-16-8-3-2-5-15(16)21(23)26/h2-3,5,8-10H,4,6-7,11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyCTPNAZZVUUROSL-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.71
Rot. Bonds5

About 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide

2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide (PubChem CID 4893603) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide
PubChem CID4893603
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(N)=O)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C22H20N2O5/c1-12-9-17(20-13-6-4-7-14(13)22(27)29-18(20)10-12)28-11-19(25)24-16-8-3-2-5-15(16)21(23)26/h2-3,5,8-10H,4,6-7,11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyCTPNAZZVUUROSL-UHFFFAOYSA-N
XLogP2.71
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 3833014
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(4-phenylmethoxyphenyl)acetamide
CID 3832700
(2R)-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 6351933
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3724496
3-methyl-1-[2-(4-methylphenyl)-2-oxoethoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1187308
3-benzylsulfanyl-2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]-N-propan-2-ylpropanamide
CID 73401430
9-[(2-chlorophenyl)methoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 3724220
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 4974144
9-[2-(1-adamantyl)-2-oxoethoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 4245262
1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 701957
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetamide
CID 11904745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide (CID 4893603) is 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide is Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)c2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide?
The InChIKey is CTPNAZZVUUROSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-12-9-17(20-13-6-4-7-14(13)22(27)29-18(20)10-12)28-11-19(25)24-16-8-3-2-5-15(16)21(23)26/h2-3,5,8-10H,4,6-7,11H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide?
2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide has a molecular weight of 392.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 4893603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).