N-(4-propan-2-yloxyphenyl)prop-2-enamide

C12H15NO2 — CID 43616366

IUPACN-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H15NO2/c1-4-12(14)13-10-5-7-11(8-6-10)15-9(2)3/h4-9H,1H2,2-3H3,(H,13,14)
InChIKeyNLOFPTPMYPLGIJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)prop-2-enamide

N-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 43616366) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID43616366
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H15NO2/c1-4-12(14)13-10-5-7-11(8-6-10)15-9(2)3/h4-9H,1H2,2-3H3,(H,13,14)
InChIKeyNLOFPTPMYPLGIJ-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.60
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

N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
bis[4-[1-[4-(prop-2-enoylamino)phenyl]ethyl]phenyl] hydrogen phosphate
CID 68542936
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
[4-(prop-2-enoylamino)phenyl] 2-bromo-2-methylpropanoate
CID 102031609
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 43616366) is N-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is NLOFPTPMYPLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-12(14)13-10-5-7-11(8-6-10)15-9(2)3/h4-9H,1H2,2-3H3,(H,13,14).
What are the key properties of N-(4-propan-2-yloxyphenyl)prop-2-enamide?
N-(4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 43616366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).