N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide

C16H20N2O4 — CID 56798331

IUPACN-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide
SMILESNC(=O)CN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C16H20N2O4/c17-15(19)9-18(12-3-1-2-4-12)16(20)8-11-5-6-13-14(7-11)22-10-21-13/h5-7,12H,1-4,8-10H2,(H2,17,19)
InChIKeyQVJUHELASMSKQP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.21
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide

N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide (PubChem CID 56798331) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide
PubChem CID56798331
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide
SMILESNC(=O)CN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C16H20N2O4/c17-15(19)9-18(12-3-1-2-4-12)16(20)8-11-5-6-13-14(7-11)22-10-21-13/h5-7,12H,1-4,8-10H2,(H2,17,19)
InChIKeyQVJUHELASMSKQP-UHFFFAOYSA-N
XLogP1.21
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 63589438
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
CID 107026216
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119602507
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide (CID 56798331) is N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide is NC(=O)CN(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide?
The InChIKey is QVJUHELASMSKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c17-15(19)9-18(12-3-1-2-4-12)16(20)8-11-5-6-13-14(7-11)22-10-21-13/h5-7,12H,1-4,8-10H2,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide?
N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide has a molecular weight of 304.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 56798331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).