3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide

C15H21NO2 — CID 3985990

IUPAC3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)10-11-16-15(17)9-6-13-4-7-14(18-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,16,17)
InChIKeyNZEWYKLVNIAJHZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.87
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide

3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide (PubChem CID 3985990) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
PubChem CID3985990
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)10-11-16-15(17)9-6-13-4-7-14(18-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,16,17)
InChIKeyNZEWYKLVNIAJHZ-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.87
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-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-N-(2-hydroxy-3-methylbutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115746094
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
N-(3-methylbutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2837045
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide (CID 3985990) is 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide is COc1ccc(C=CC(=O)NCCC(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
The InChIKey is NZEWYKLVNIAJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)10-11-16-15(17)9-6-13-4-7-14(18-3)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide?
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 3985990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).