N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide

C14H20N2O3 — CID 60648461

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-3-6-15-8-14(17)16-10(2)11-4-5-12-13(7-11)19-9-18-12/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,16,17)
InChIKeyLYVKWRZMQVTRAI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide (PubChem CID 60648461) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
PubChem CID60648461
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-3-6-15-8-14(17)16-10(2)11-4-5-12-13(7-11)19-9-18-12/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,16,17)
InChIKeyLYVKWRZMQVTRAI-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-butylurea
CID 27459871
5-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 39853266
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 84984720
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 60868181
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 8583610
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-1-ium-1-ylacetamide
CID 8894563

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide (CID 60648461) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide is CCCNCC(=O)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide?
The InChIKey is LYVKWRZMQVTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-6-15-8-14(17)16-10(2)11-4-5-12-13(7-11)19-9-18-12/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 60648461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).