2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide

C16H25NO — CID 57176642

IUPAC2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide
SMILESC/C=C(\NC(=O)C(C)C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C16H25NO/c1-8-14(17-16(18)9(2)3)15-12(6)10(4)11(5)13(15)7/h8-9,12H,1-7H3,(H,17,18)/b14-8-
InChIKeyHOHLDZRLRBBOAX-ZSOIEALJSA-N
MW247.38 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide

2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide (PubChem CID 57176642) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide
PubChem CID57176642
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide
SMILESC/C=C(\NC(=O)C(C)C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C16H25NO/c1-8-14(17-16(18)9(2)3)15-12(6)10(4)11(5)13(15)7/h8-9,12H,1-7H3,(H,17,18)/b14-8-
InChIKeyHOHLDZRLRBBOAX-ZSOIEALJSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide?
The IUPAC name of 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide (CID 57176642) is 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide is C/C=C(\NC(=O)C(C)C)C1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide?
The InChIKey is HOHLDZRLRBBOAX-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H25NO/c1-8-14(17-16(18)9(2)3)15-12(6)10(4)11(5)13(15)7/h8-9,12H,1-7H3,(H,17,18)/b14-8-.
What are the key properties of 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide?
2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide has a molecular weight of 247.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]propanamide is sourced from PubChem (CID 57176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).