N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide

C18H19N3O3 — CID 126768533

IUPACN-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCc2cnccc21
InChIInChI=1S/C18H19N3O3/c1-2-24-16-6-4-3-5-14(16)18(23)20-12-17(22)21-10-8-13-11-19-9-7-15(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23)
InChIKeyMFKJYUKNTJFGPP-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide

N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 126768533) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
PubChem CID126768533
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCc2cnccc21
InChIInChI=1S/C18H19N3O3/c1-2-24-16-6-4-3-5-14(16)18(23)20-12-17(22)21-10-8-13-11-19-9-7-15(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23)
InChIKeyMFKJYUKNTJFGPP-UHFFFAOYSA-N
XLogP1.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 4599962
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide
CID 31246908
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 38113651
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide (CID 126768533) is N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCc2cnccc21.
What is the InChIKey of N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is MFKJYUKNTJFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-16-6-4-3-5-14(16)18(23)20-12-17(22)21-10-8-13-11-19-9-7-15(13)21/h3-7,9,11H,2,8,10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide?
N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 126768533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).