(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide

C13H17NO — CID 92898615

IUPAC(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(/C=C\C(=O)NC(C)C)cc1
InChIInChI=1S/C13H17NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,14,15)/b9-8-
InChIKeyXKKCUADTHQRLIX-HJWRWDBZSA-N
MW203.28 g/mol
LogP2.53
Rot. Bonds3

About (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide

(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 92898615) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID92898615
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(/C=C\C(=O)NC(C)C)cc1
InChIInChI=1S/C13H17NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,14,15)/b9-8-
InChIKeyXKKCUADTHQRLIX-HJWRWDBZSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 79253158
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
ethanesulfonic acid;(E)-3-(4-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
CID 88652718
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 7405594
3-methoxy-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077123
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide (CID 92898615) is (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide is Cc1ccc(/C=C\C(=O)NC(C)C)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is XKKCUADTHQRLIX-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,14,15)/b9-8-.
What are the key properties of (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide?
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 92898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).