2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide

C20H21N3O4 — CID 18144263

IUPAC2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(22-10-13-5-8-17-18(9-13)27-12-26-17)11-21-16-4-2-1-3-15(16)20(25)23-14-6-7-14/h1-5,8-9,14,21H,6-7,10-12H2,(H,22,24)(H,23,25)
InChIKeyBJEQRPAOGADLRZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.04
Rot. Bonds7

About 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide

2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide (PubChem CID 18144263) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
PubChem CID18144263
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(22-10-13-5-8-17-18(9-13)27-12-26-17)11-21-16-4-2-1-3-15(16)20(25)23-14-6-7-14/h1-5,8-9,14,21H,6-7,10-12H2,(H,22,24)(H,23,25)
InChIKeyBJEQRPAOGADLRZ-UHFFFAOYSA-N
XLogP2.04
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-cyclopropyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 30635153
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyethoxy)anilino]acetamide
CID 52758367
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 55897786
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide
CID 31673829
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542953
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide (CID 18144263) is 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide is O=C(CNc1ccccc1C(=O)NC1CC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The InChIKey is BJEQRPAOGADLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(22-10-13-5-8-17-18(9-13)27-12-26-17)11-21-16-4-2-1-3-15(16)20(25)23-14-6-7-14/h1-5,8-9,14,21H,6-7,10-12H2,(H,22,24)(H,23,25).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide has a molecular weight of 367.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 18144263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).