3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide

C16H23NO2 — CID 3500968

IUPAC3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-12-17(13-5-2)16(18)11-8-14-6-9-15(19-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3
InChIKeyAUBFOYPXXQGRLA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.36
Rot. Bonds7

About 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide

3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide (PubChem CID 3500968) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
PubChem CID3500968
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO2/c1-4-12-17(13-5-2)16(18)11-8-14-6-9-15(19-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3
InChIKeyAUBFOYPXXQGRLA-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
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-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
CID 110498588
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
3-[[(E)-3-[4-(methoxymethoxy)phenyl]prop-2-enoyl]-propylamino]propanoic acid
CID 110498642
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
CID 146661377
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(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]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196495
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide (CID 3500968) is 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)C=Cc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide?
The InChIKey is AUBFOYPXXQGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12-17(13-5-2)16(18)11-8-14-6-9-15(19-3)10-7-14/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide?
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 3500968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).