N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide

C19H28N2O3 — CID 175619937

IUPACN-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide
SMILESC/C=C/C=C(\C1=C(C)CN(C(CCC=O)C(=O)NC)C1=O)C(C)C
InChIInChI=1S/C19H28N2O3/c1-6-7-9-15(13(2)3)17-14(4)12-21(19(17)24)16(10-8-11-22)18(23)20-5/h6-7,9,11,13,16H,8,10,12H2,1-5H3,(H,20,23)/b7-6+,15-9-
InChIKeyWKBAGLFJPZMAJI-MOKCJYBKSA-N
MW332.44 g/mol
LogP2.40
Rot. Bonds8

About N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide

N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide (PubChem CID 175619937) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide
PubChem CID175619937
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide
SMILESC/C=C/C=C(\C1=C(C)CN(C(CCC=O)C(=O)NC)C1=O)C(C)C
InChIInChI=1S/C19H28N2O3/c1-6-7-9-15(13(2)3)17-14(4)12-21(19(17)24)16(10-8-11-22)18(23)20-5/h6-7,9,11,13,16H,8,10,12H2,1-5H3,(H,20,23)/b7-6+,15-9-
InChIKeyWKBAGLFJPZMAJI-MOKCJYBKSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide (CID 175619937) is N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide is C/C=C/C=C(\C1=C(C)CN(C(CCC=O)C(=O)NC)C1=O)C(C)C.
What is the InChIKey of N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide?
The InChIKey is WKBAGLFJPZMAJI-MOKCJYBKSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-7-9-15(13(2)3)17-14(4)12-21(19(17)24)16(10-8-11-22)18(23)20-5/h6-7,9,11,13,16H,8,10,12H2,1-5H3,(H,20,23)/b7-6+,15-9-.
What are the key properties of N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide?
N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide has a molecular weight of 332.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-4-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]-5-oxo-2H-pyrrol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 175619937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).