ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide

C14H21NO — CID 142207666

IUPACethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC.CC(C)c1ccc(/C=C/C(N)=O)cc1
InChIInChI=1S/C12H15NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-9H,1-2H3,(H2,13,14);1-2H3/b8-5+;
InChIKeyIORHYPGKMNYHBQ-HAAWTFQLSA-N
MW219.33 g/mol
LogP3.33
Rot. Bonds3

About ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide

ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 142207666) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID142207666
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC.CC(C)c1ccc(/C=C/C(N)=O)cc1
InChIInChI=1S/C12H15NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-9H,1-2H3,(H2,13,14);1-2H3/b8-5+;
InChIKeyIORHYPGKMNYHBQ-HAAWTFQLSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.33
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

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
CID 174971190
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
CID 88913216
CID 88913216
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 142207666) is ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC.CC(C)c1ccc(/C=C/C(N)=O)cc1.
What is the InChIKey of ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is IORHYPGKMNYHBQ-HAAWTFQLSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-9H,1-2H3,(H2,13,14);1-2H3/b8-5+;.
What are the key properties of ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide?
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 142207666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).