N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide

C19H26N2O3 — CID 30343075

IUPACN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
SMILESCCCCCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-3-4-5-11-18(22)21(2)13-8-12-20-16-14-19(23)24-17-10-7-6-9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-13H2,1-2H3
InChIKeyMGOOBBSVKAKFQZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.63
Rot. Bonds9

About N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide

N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide (PubChem CID 30343075) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide.

Molecular Properties

Compound NameN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
PubChem CID30343075
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
SMILESCCCCCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-3-4-5-11-18(22)21(2)13-8-12-20-16-14-19(23)24-17-10-7-6-9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-13H2,1-2H3
InChIKeyMGOOBBSVKAKFQZ-UHFFFAOYSA-N
XLogP3.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
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,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30342976
4-(2-aminoethylamino)chromen-2-one
CID 119085544
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
N-butyl-3-(2-methoxyanilino)-N-methylpropanamide
CID 109032376
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311
N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide
CID 166370199

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The IUPAC name of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide (CID 30343075) is N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide.
What is the SMILES notation for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The canonical SMILES for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide is CCCCCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12.
What is the InChIKey of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The InChIKey is MGOOBBSVKAKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-4-5-11-18(22)21(2)13-8-12-20-16-14-19(23)24-17-10-7-6-9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide has a molecular weight of 330.43 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide is sourced from PubChem (CID 30343075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).