6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide

C18H22N2O4 — CID 10758804

IUPAC6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H22N2O4/c1-12-10-18(23)24-16-11-14(7-8-15(12)16)20-17(22)6-4-3-5-9-19-13(2)21/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIIZOUKAUUBLFIR-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.74
Rot. Bonds7

About 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide

6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide (PubChem CID 10758804) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
PubChem CID10758804
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H22N2O4/c1-12-10-18(23)24-16-11-14(7-8-15(12)16)20-17(22)6-4-3-5-9-19-13(2)21/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIIZOUKAUUBLFIR-UHFFFAOYSA-N
XLogP2.74
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 167848019
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 134131601
1-heptyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650890
1-(4-methyl-2-oxochromen-7-yl)-3-nonylthiourea
CID 19651148
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
N-[5-(aminomethylideneamino)-6-[(4-methyl-2-oxochromen-7-yl)amino]-6-oxohexyl]tetradecanamide
CID 123495090
4-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)butanamide;2,2,2-trifluoroacetic acid
CID 134137031
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The IUPAC name of 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide (CID 10758804) is 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The canonical SMILES for 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide is CC(=O)NCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The InChIKey is IIZOUKAUUBLFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-10-18(23)24-16-11-14(7-8-15(12)16)20-17(22)6-4-3-5-9-19-13(2)21/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide has a molecular weight of 330.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide is sourced from PubChem (CID 10758804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).