3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene

C22H30N2O3 — CID 143067890

IUPAC3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
SMILESC=CC.CCc1ccc(C(N)=O)cc1OC.CCc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13NO2.C9H11NO.C3H6/c1-3-7-4-5-8(10(11)12)6-9(7)13-2;1-2-7-4-3-5-8(6-7)9(10)11;1-3-2/h4-6H,3H2,1-2H3,(H2,11,12);3-6H,2H2,1H3,(H2,10,11);3H,1H2,2H3
InChIKeyYAIDRMKNRJHNCB-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.90
Rot. Bonds5

About 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene

3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene (PubChem CID 143067890) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene.

Molecular Properties

Compound Name3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
PubChem CID143067890
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
SMILESC=CC.CCc1ccc(C(N)=O)cc1OC.CCc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13NO2.C9H11NO.C3H6/c1-3-7-4-5-8(10(11)12)6-9(7)13-2;1-2-7-4-3-5-8(6-7)9(10)11;1-3-2/h4-6H,3H2,1-2H3,(H2,11,12);3-6H,2H2,1H3,(H2,10,11);3H,1H2,2H3
InChIKeyYAIDRMKNRJHNCB-UHFFFAOYSA-N
XLogP3.90
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide
CID 143067899
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
CID 55631819
3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide
CID 141423954
3-(2-amino-2-iminoethyl)benzamide;methyl 3-(2-amino-2-iminoethyl)benzoate;dihydrochloride
CID 86672754
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
4-(3-ethylphenyl)benzamide
CID 54454087
4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
CID 19906374
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398

Frequently Asked Questions

What is the IUPAC name of 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene?
The IUPAC name of 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene (CID 143067890) is 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene.
What is the SMILES notation for 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene?
The canonical SMILES for 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene is C=CC.CCc1ccc(C(N)=O)cc1OC.CCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene?
The InChIKey is YAIDRMKNRJHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C9H11NO.C3H6/c1-3-7-4-5-8(10(11)12)6-9(7)13-2;1-2-7-4-3-5-8(6-7)9(10)11;1-3-2/h4-6H,3H2,1-2H3,(H2,11,12);3-6H,2H2,1H3,(H2,10,11);3H,1H2,2H3.
What are the key properties of 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene?
3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene has a molecular weight of 370.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene is sourced from PubChem (CID 143067890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).