4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

C22H28N2O4 — CID 170502781

IUPAC4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)20(25)23-12-13-24-21(26)19-16(3)14-18(28-22(19)27)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQBJHLQAOUGITIW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.63
Rot. Bonds9

About 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 170502781) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID170502781
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C22H28N2O4/c1-15(2)20(25)23-12-13-24-21(26)19-16(3)14-18(28-22(19)27)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQBJHLQAOUGITIW-UHFFFAOYSA-N
XLogP2.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
CID 170512006
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511383
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511764
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508635
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345
4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
CID 171711825
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
N-[3-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502643
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (CID 170502781) is 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is QBJHLQAOUGITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)20(25)23-12-13-24-21(26)19-16(3)14-18(28-22(19)27)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 170502781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).