3-[4-(2-methylpropoxy)phenyl]prop-2-enamide

C13H17NO2 — CID 131842632

IUPAC3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCC(C)COc1ccc(C=CC(N)=O)cc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-16-12-6-3-11(4-7-12)5-8-13(14)15/h3-8,10H,9H2,1-2H3,(H2,14,15)
InChIKeyBWWIACHBRCTZKA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.22
Rot. Bonds5

About 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide

3-[4-(2-methylpropoxy)phenyl]prop-2-enamide (PubChem CID 131842632) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
PubChem CID131842632
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCC(C)COc1ccc(C=CC(N)=O)cc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-16-12-6-3-11(4-7-12)5-8-13(14)15/h3-8,10H,9H2,1-2H3,(H2,14,15)
InChIKeyBWWIACHBRCTZKA-UHFFFAOYSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.22
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

3-[4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 4201747
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide
CID 174837362
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
(E)-1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139078667
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
4-[(E)-3-(2-methylpropoxyamino)-3-oxoprop-1-enyl]benzamide
CID 115410320

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide (CID 131842632) is 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide is CC(C)COc1ccc(C=CC(N)=O)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The InChIKey is BWWIACHBRCTZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)9-16-12-6-3-11(4-7-12)5-8-13(14)15/h3-8,10H,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 131842632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).