N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

C19H21NO3 — CID 169412250

IUPACN-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NC1CC1
InChIInChI=1S/C19H21NO3/c1-13-12-16(9-5-8-14-6-3-2-4-7-14)23-19(22)17(13)18(21)20-15-10-11-15/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,21)
InChIKeyKCGHRNSRMZBWMT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 169412250) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID169412250
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NC1CC1
InChIInChI=1S/C19H21NO3/c1-13-12-16(9-5-8-14-6-3-2-4-7-14)23-19(22)17(13)18(21)20-15-10-11-15/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,21)
InChIKeyKCGHRNSRMZBWMT-UHFFFAOYSA-N
XLogP3.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 170504233
4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170510853
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511383
4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
CID 171711825
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508635
1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
CID 169415802
N-[3-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502643

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (CID 169412250) is N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is KCGHRNSRMZBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-12-16(9-5-8-14-6-3-2-4-7-14)23-19(22)17(13)18(21)20-15-10-11-15/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,21).
What are the key properties of N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 169412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).