N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide

C16H21NO3 — CID 24796878

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)11-15(13)20-4/h5-6,8-9,11H,1-2,7,10,12H2,3-4H3
InChIKeyVNDGGNPJNKEJBK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.79
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide

N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide (PubChem CID 24796878) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
PubChem CID24796878
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)11-15(13)20-4/h5-6,8-9,11H,1-2,7,10,12H2,3-4H3
InChIKeyVNDGGNPJNKEJBK-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide
CID 143222329
ethane;methyl 3-[(2,4-dimethoxyphenyl)methyl-[(E)-4,4,4-trifluorobut-2-enyl]amino]-3-oxopropanoate
CID 143425681
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
N-[(2,4-dimethoxyphenyl)methyl]-N-(S-methyl-N-prop-2-enylsulfonimidoyl)prop-2-en-1-amine
CID 125473512
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
1,1-bis[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)but-3-enyl]urea
CID 144615588

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide (CID 24796878) is N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide is C=CCC(=O)N(CC=C)Cc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide?
The InChIKey is VNDGGNPJNKEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-7-16(18)17(10-6-2)12-13-8-9-14(19-3)11-15(13)20-4/h5-6,8-9,11H,1-2,7,10,12H2,3-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide has a molecular weight of 275.35 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 24796878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).