N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide

C20H23N3O4 — CID 3058824

IUPACN-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1oc2ccc3c(C)cc(=O)oc3c2c1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C20H23N3O4/c1-12-10-17(25)27-20-14(12)4-5-15-18(20)19(13(2)26-15)21-16(24)11-23-8-6-22(3)7-9-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyMPJPYBWVGQBWSO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.34
Rot. Bonds3

About N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide

N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 3058824) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID3058824
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1oc2ccc3c(C)cc(=O)oc3c2c1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C20H23N3O4/c1-12-10-17(25)27-20-14(12)4-5-15-18(20)19(13(2)26-15)21-16(24)11-23-8-6-22(3)7-9-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyMPJPYBWVGQBWSO-UHFFFAOYSA-N
XLogP2.34
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide
CID 21153594
(4-methyl-2-oxochromen-7-yl) 2-(4-methylpiperazin-1-yl)acetate
CID 166610984
2-[4-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperazin-1-yl]acetic acid
CID 138319844
2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
CID 24896741
2-(4-methylpiperazin-1-yl)-N-(7-nitro-9-oxoxanthen-3-yl)acetamide
CID 162787910
N-[5-chloro-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 574776
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17024200
N-(2,6-dimethylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251293
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491

Frequently Asked Questions

What is the IUPAC name of N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 3058824) is N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide is Cc1oc2ccc3c(C)cc(=O)oc3c2c1NC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MPJPYBWVGQBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-10-17(25)27-20-14(12)4-5-15-18(20)19(13(2)26-15)21-16(24)11-23-8-6-22(3)7-9-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24).
What are the key properties of N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3058824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).