ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide

C15H21NO — CID 142881143

IUPACethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(/C=C\C)c1ccc(C)cc1.CC
InChIInChI=1S/C13H15NO.C2H6/c1-4-10-14(13(15)5-2)12-8-6-11(3)7-9-12;1-2/h4-10H,2H2,1,3H3;1-2H3/b10-4-;
InChIKeyUTRYMRIYTGYDFS-MDZFRNKHSA-N
MW231.34 g/mol
LogP4.07
Rot. Bonds3

About ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide

ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide (PubChem CID 142881143) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
PubChem CID142881143
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(/C=C\C)c1ccc(C)cc1.CC
InChIInChI=1S/C13H15NO.C2H6/c1-4-10-14(13(15)5-2)12-8-6-11(3)7-9-12;1-2/h4-10H,2H2,1,3H3;1-2H3/b10-4-;
InChIKeyUTRYMRIYTGYDFS-MDZFRNKHSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide 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

N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881144
N-phenyl-N-prop-1-enylprop-2-enamide
CID 175394581
prop-2-enoic acid;1,4-xylene
CID 67822281
N-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-methyl-N-[(E)-prop-1-enyl]aniline
CID 144569144
N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide
CID 131881565
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide
CID 131636948
ethenol;N,N,4-trimethylaniline
CID 161109749
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The IUPAC name of ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide (CID 142881143) is ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide.
What is the SMILES notation for ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The canonical SMILES for ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide is C=CC(=O)N(/C=C\C)c1ccc(C)cc1.CC.
What is the InChIKey of ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The InChIKey is UTRYMRIYTGYDFS-MDZFRNKHSA-N. The full InChI is InChI=1S/C13H15NO.C2H6/c1-4-10-14(13(15)5-2)12-8-6-11(3)7-9-12;1-2/h4-10H,2H2,1,3H3;1-2H3/b10-4-;.
What are the key properties of ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide is sourced from PubChem (CID 142881143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).