2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide

C14H18N2O3 — CID 39362122

IUPAC2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
SMILESNCC(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H18N2O3/c15-8-14(17)16(11-2-3-11)9-10-1-4-12-13(7-10)19-6-5-18-12/h1,4,7,11H,2-3,5-6,8-9,15H2
InChIKeyAPHRNPUGORTMOJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide

2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide (PubChem CID 39362122) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
PubChem CID39362122
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
SMILESNCC(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H18N2O3/c15-8-14(17)16(11-2-3-11)9-10-1-4-12-13(7-10)19-6-5-18-12/h1,4,7,11H,2-3,5-6,8-9,15H2
InChIKeyAPHRNPUGORTMOJ-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119318289
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 154747596
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[4-(3,3,3-trifluoro-2-oxopropyl)cyclohexyl]carbamate
CID 143586240
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52572835
4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 39968072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide (CID 39362122) is 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide is NCC(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?
The InChIKey is APHRNPUGORTMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-8-14(17)16(11-2-3-11)9-10-1-4-12-13(7-10)19-6-5-18-12/h1,4,7,11H,2-3,5-6,8-9,15H2.
What are the key properties of 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide?
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide is sourced from PubChem (CID 39362122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).