(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide

C18H19NO2 — CID 170876730

IUPAC(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1cc(/C=C\C(N)=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-13-10-16(8-9-17(19)20)11-14(2)18(13)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,19,20)/b9-8-
InChIKeyMSPPXDKQNHXVNQ-HJWRWDBZSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds5

About (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide

(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 170876730) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID170876730
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1cc(/C=C\C(N)=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-13-10-16(8-9-17(19)20)11-14(2)18(13)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,19,20)/b9-8-
InChIKeyMSPPXDKQNHXVNQ-HJWRWDBZSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405816
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
(E)-3-[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 91684969
[2,6-dimethyl-4-[(E)-3-oxo-4-phenylbut-1-enyl]phenyl] acetate
CID 147597388
3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 53401732
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enamide
CID 91685137
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enamide
CID 91685081

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide (CID 170876730) is (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide is Cc1cc(/C=C\C(N)=O)cc(C)c1OCc1ccccc1.
What is the InChIKey of (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is MSPPXDKQNHXVNQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-10-16(8-9-17(19)20)11-14(2)18(13)21-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,19,20)/b9-8-.
What are the key properties of (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide?
(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 170876730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).