N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide

C13H22N2O3 — CID 112695091

IUPACN-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)15-12(17)6-7-14-8-10-4-5-11(9-16)18-10/h4-5,14,16H,6-9H2,1-3H3,(H,15,17)
InChIKeyIEZVBYAGFPVAHF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.17
Rot. Bonds6

About N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide

N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide (PubChem CID 112695091) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
PubChem CID112695091
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCc1ccc(CO)o1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)15-12(17)6-7-14-8-10-4-5-11(9-16)18-10/h4-5,14,16H,6-9H2,1-3H3,(H,15,17)
InChIKeyIEZVBYAGFPVAHF-UHFFFAOYSA-N
XLogP1.17
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[(3-methylfuran-2-yl)methylamino]propanamide
CID 113243125
[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
CID 115654111
3-[[[3-(tert-butylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263112
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
N-tert-butyl-3-(naphthalen-2-ylmethylamino)propanamide
CID 115615842
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 112689875
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide (CID 112695091) is N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide is CC(C)(C)NC(=O)CCNCc1ccc(CO)o1.
What is the InChIKey of N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide?
The InChIKey is IEZVBYAGFPVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)15-12(17)6-7-14-8-10-4-5-11(9-16)18-10/h4-5,14,16H,6-9H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide?
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide has a molecular weight of 254.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide is sourced from PubChem (CID 112695091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).