N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C16H22N2O4 — CID 18145820

IUPACN-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(=O)NCC)cc(OC)c1OC
InChIInChI=1S/C16H22N2O4/c1-5-7-11-8-12(9-13(21-3)15(11)22-4)16(20)18-10-14(19)17-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyFMYUUYOALOKKCM-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.30
Rot. Bonds8

About N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 18145820) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID18145820
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(=O)NCC)cc(OC)c1OC
InChIInChI=1S/C16H22N2O4/c1-5-7-11-8-12(9-13(21-3)15(11)22-4)16(20)18-10-14(19)17-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyFMYUUYOALOKKCM-UHFFFAOYSA-N
XLogP1.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-5-prop-2-enylbenzamide
CID 27813309
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 18145820) is N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCC(=O)NCC)cc(OC)c1OC.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is FMYUUYOALOKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-7-11-8-12(9-13(21-3)15(11)22-4)16(20)18-10-14(19)17-6-2/h5,8-9H,1,6-7,10H2,2-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 18145820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).