2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide

C14H18N2O3 — CID 115158478

IUPAC2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
SMILESCc1cc2c(cc1CNC(=O)CNC1CC1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-4-12-13(19-8-18-12)5-10(9)6-16-14(17)7-15-11-2-3-11/h4-5,11,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyZYBWFBSOEFGMSB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide (PubChem CID 115158478) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
PubChem CID115158478
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
SMILESCc1cc2c(cc1CNC(=O)CNC1CC1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-4-12-13(19-8-18-12)5-10(9)6-16-14(17)7-15-11-2-3-11/h4-5,11,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyZYBWFBSOEFGMSB-UHFFFAOYSA-N
XLogP1.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
1-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)ethanone
CID 82114127
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
2-(cyclopropylamino)-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115158482
2-(cyclohexanecarbonylamino)-5-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]thiophene-3-carboxamide
CID 70088479
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
CID 82475603
N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide (CID 115158478) is 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide is Cc1cc2c(cc1CNC(=O)CNC1CC1)OCO2.
What is the InChIKey of 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide?
The InChIKey is ZYBWFBSOEFGMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-12-13(19-8-18-12)5-10(9)6-16-14(17)7-15-11-2-3-11/h4-5,11,15H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide is sourced from PubChem (CID 115158478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).