2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide

C14H20N2O3 — CID 109006084

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-4-7-15-14(17)9-16-11-5-6-12-13(8-11)19-10-18-12/h5-6,8,16H,2-4,7,9-10H2,1H3,(H,15,17)
InChIKeyZZLNOBUQRQXIBL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.13
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide

2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide (PubChem CID 109006084) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide
PubChem CID109006084
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-4-7-15-14(17)9-16-11-5-6-12-13(8-11)19-10-18-12/h5-6,8,16H,2-4,7,9-10H2,1H3,(H,15,17)
InChIKeyZZLNOBUQRQXIBL-UHFFFAOYSA-N
XLogP2.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 109003009
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pentylurea
CID 47160647
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
2-[(1,3-benzodioxol-5-ylamino)methyl]prop-2-enoic acid
CID 103235071
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348
2-(1,3-benzodioxol-5-ylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998484

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide (CID 109006084) is 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide is CCCCCNC(=O)CNc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide?
The InChIKey is ZZLNOBUQRQXIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-4-7-15-14(17)9-16-11-5-6-12-13(8-11)19-10-18-12/h5-6,8,16H,2-4,7,9-10H2,1H3,(H,15,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide?
2-(1,3-benzodioxol-5-ylamino)-N-pentylacetamide has a molecular weight of 264.32 g/mol, XLogP of 2.13, 7 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-ylamino)-N-pentylacetamide is sourced from PubChem (CID 109006084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).