methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate

C19H22N2O3 — CID 108999033

IUPACmethyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H22N2O3/c1-3-21(14-15-8-5-4-6-9-15)18(22)13-20-17-11-7-10-16(12-17)19(23)24-2/h4-12,20H,3,13-14H2,1-2H3
InChIKeyOWFBJQSNIZBANB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.93
Rot. Bonds7

About methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate

methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 108999033) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
PubChem CID108999033
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C19H22N2O3/c1-3-21(14-15-8-5-4-6-9-15)18(22)13-20-17-11-7-10-16(12-17)19(23)24-2/h4-12,20H,3,13-14H2,1-2H3
InChIKeyOWFBJQSNIZBANB-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
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3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
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methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
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2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate (CID 108999033) is methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate is CCN(Cc1ccccc1)C(=O)CNc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is OWFBJQSNIZBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-21(14-15-8-5-4-6-9-15)18(22)13-20-17-11-7-10-16(12-17)19(23)24-2/h4-12,20H,3,13-14H2,1-2H3.
What are the key properties of methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 108999033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).