3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide

C13H22N2O3 — CID 113307628

IUPAC3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-13(2,10-14)12(16)15-6-4-7-17-9-11-5-3-8-18-11/h3,5,8H,4,6-7,9-10,14H2,1-2H3,(H,15,16)
InChIKeyIHGVOMOBTSOMEL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.29
Rot. Bonds8

About 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide

3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide (PubChem CID 113307628) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
PubChem CID113307628
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O3/c1-13(2,10-14)12(16)15-6-4-7-17-9-11-5-3-8-18-11/h3,5,8H,4,6-7,9-10,14H2,1-2H3,(H,15,16)
InChIKeyIHGVOMOBTSOMEL-UHFFFAOYSA-N
XLogP1.29
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.29
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

4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
CID 113312924
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide (CID 113307628) is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide is CC(C)(CN)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide?
The InChIKey is IHGVOMOBTSOMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,10-14)12(16)15-6-4-7-17-9-11-5-3-8-18-11/h3,5,8H,4,6-7,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide?
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113307628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).