N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

C24H24N2O4 — CID 171387353

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C24H24N2O4/c1-16-14-20(9-5-8-17-6-3-2-4-7-17)30-24(29)22(16)23(28)26-19-12-10-18(11-13-19)15-21(25)27/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H2,25,27)(H,26,28)
InChIKeyHJQXOEULPGEGSL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.40
Rot. Bonds8

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 171387353) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID171387353
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C24H24N2O4/c1-16-14-20(9-5-8-17-6-3-2-4-7-17)30-24(29)22(16)23(28)26-19-12-10-18(11-13-19)15-21(25)27/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H2,25,27)(H,26,28)
InChIKeyHJQXOEULPGEGSL-UHFFFAOYSA-N
XLogP3.40
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
4-(hydroxyamino)-2-oxo-N,6-diphenylpyran-3-carboxamide
CID 76314522
4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76318117
4-(hydroxyamino)-N,6-bis(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76318119
4-(hydroxyamino)-N-(3-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76325447
4-(hydroxyamino)-N-(2-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328988
Methyl 4-[[4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carbonyl]amino]benzoate
CID 76332668
Ethyl 2-cyclohexyl-3-[(4-methylphenyl)amino]-3-oxopropanoate
CID 2884924
N-(4-methylphenyl)-2-oxo-6-phenyl-4-piperidin-1-ylpyran-3-carboxamide
CID 76309898
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664971
4-(hydroxyamino)-6-(4-methylphenyl)-2-oxo-N-phenylpyran-3-carboxamide
CID 76310894
6-(4-fluorophenyl)-4-(hydroxyamino)-N-(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76318118

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (CID 171387353) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is HJQXOEULPGEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-14-20(9-5-8-17-6-3-2-4-7-17)30-24(29)22(16)23(28)26-19-12-10-18(11-13-19)15-21(25)27/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 171387353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).