2-(furan-2-ylmethylamino)-N-pentylacetamide

C12H20N2O2 — CID 108996263

IUPAC2-(furan-2-ylmethylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-7-14-12(15)10-13-9-11-6-5-8-16-11/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,14,15)
InChIKeySEHDAJBMVBIRDN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.68
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-N-pentylacetamide

2-(furan-2-ylmethylamino)-N-pentylacetamide (PubChem CID 108996263) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-pentylacetamide
PubChem CID108996263
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(furan-2-ylmethylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-7-14-12(15)10-13-9-11-6-5-8-16-11/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,14,15)
InChIKeySEHDAJBMVBIRDN-UHFFFAOYSA-N
XLogP1.68
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
N-[2-(dimethylamino)ethyl]-2-(furan-2-ylmethylamino)acetamide
CID 108994576
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-pentylacetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-pentylacetamide (CID 108996263) is 2-(furan-2-ylmethylamino)-N-pentylacetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-pentylacetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-pentylacetamide is CCCCCNC(=O)CNCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-pentylacetamide?
The InChIKey is SEHDAJBMVBIRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-4-7-14-12(15)10-13-9-11-6-5-8-16-11/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,14,15).
What are the key properties of 2-(furan-2-ylmethylamino)-N-pentylacetamide?
2-(furan-2-ylmethylamino)-N-pentylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-pentylacetamide is sourced from PubChem (CID 108996263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).