N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide

C19H28N2O4 — CID 24546507

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C19H28N2O4/c1-7-11-25-15-10-9-14(12-16(15)24-6)18(23)21(8-2)13-17(22)20-19(3,4)5/h7,9-10,12H,1,8,11,13H2,2-6H3,(H,20,22)
InChIKeyZYHCBQKOQBAFHT-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 24546507) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID24546507
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C19H28N2O4/c1-7-11-25-15-10-9-14(12-16(15)24-6)18(23)21(8-2)13-17(22)20-19(3,4)5/h7,9-10,12H,1,8,11,13H2,2-6H3,(H,20,22)
InChIKeyZYHCBQKOQBAFHT-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
CID 39903137
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
CID 31287568
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-4-methylpentanoic acid
CID 119203920
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide (CID 24546507) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is ZYHCBQKOQBAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-7-11-25-15-10-9-14(12-16(15)24-6)18(23)21(8-2)13-17(22)20-19(3,4)5/h7,9-10,12H,1,8,11,13H2,2-6H3,(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 348.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 24546507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).