N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide

C21H31N3O4 — CID 71906407

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESO=C(CN(CCN1CCOCC1)C1CCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H31N3O4/c25-21(22-14-17-5-6-19-20(13-17)28-16-27-19)15-24(18-3-1-2-4-18)8-7-23-9-11-26-12-10-23/h5-6,13,18H,1-4,7-12,14-16H2,(H,22,25)
InChIKeyASWYRAREOCIPDP-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.61
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 71906407) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide
PubChem CID71906407
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESO=C(CN(CCN1CCOCC1)C1CCCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H31N3O4/c25-21(22-14-17-5-6-19-20(13-17)28-16-27-19)15-24(18-3-1-2-4-18)8-7-23-9-11-26-12-10-23/h5-6,13,18H,1-4,7-12,14-16H2,(H,22,25)
InChIKeyASWYRAREOCIPDP-UHFFFAOYSA-N
XLogP1.61
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105659
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-cyclohexylthiadiazole-4-carboxamide
CID 43814732
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253190
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 27658957
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133289
N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 5039018
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanopiperidin-1-yl)acetamide
CID 171701277
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108947251
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109022602
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42858013

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide (CID 71906407) is N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide is O=C(CN(CCN1CCOCC1)C1CCCC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide?
The InChIKey is ASWYRAREOCIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c25-21(22-14-17-5-6-19-20(13-17)28-16-27-19)15-24(18-3-1-2-4-18)8-7-23-9-11-26-12-10-23/h5-6,13,18H,1-4,7-12,14-16H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopentyl(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 71906407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).