2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide

C14H18N2O3 — CID 60720069

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)NCC1CC1
InChIInChI=1S/C14H18N2O3/c17-14(16-7-10-1-2-10)8-15-6-11-3-4-12-13(5-11)19-9-18-12/h3-5,10,15H,1-2,6-9H2,(H,16,17)
InChIKeyABXIXXJWBKKFMI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds6

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide (PubChem CID 60720069) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
PubChem CID60720069
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)NCC1CC1
InChIInChI=1S/C14H18N2O3/c17-14(16-7-10-1-2-10)8-15-6-11-3-4-12-13(5-11)19-9-18-12/h3-5,10,15H,1-2,6-9H2,(H,16,17)
InChIKeyABXIXXJWBKKFMI-UHFFFAOYSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 60647411
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995204
2-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)ethanamine
CID 67231826
2-[(1,3-benzodioxol-5-ylmethylamino)methyl]prop-2-enoic acid
CID 103249774
methyl 2-(1,3-benzodioxol-5-ylmethylamino)acetate;hydrochloride
CID 69314865
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)acetamide
CID 108998701
2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 24746885
1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide (CID 60720069) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide is O=C(CNCc1ccc2c(c1)OCO2)NCC1CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide?
The InChIKey is ABXIXXJWBKKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(16-7-10-1-2-10)8-15-6-11-3-4-12-13(5-11)19-9-18-12/h3-5,10,15H,1-2,6-9H2,(H,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 60720069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).