2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide

C23H27N3O4 — CID 8748179

IUPAC2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H27N3O4/c1-26(13-16-10-11-20-21(12-16)30-15-29-20)14-22(27)25-19-9-5-4-8-18(19)23(28)24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXAENCODIQIQAQY-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.16
Rot. Bonds7

About 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide

2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 8748179) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
PubChem CID8748179
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H27N3O4/c1-26(13-16-10-11-20-21(12-16)30-15-29-20)14-22(27)25-19-9-5-4-8-18(19)23(28)24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXAENCODIQIQAQY-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-[4-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26650432
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide (CID 8748179) is 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is XAENCODIQIQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-26(13-16-10-11-20-21(12-16)30-15-29-20)14-22(27)25-19-9-5-4-8-18(19)23(28)24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 8748179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).