N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide

C13H22N2O2 — CID 60676843

IUPACN-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
SMILESCC(NCCc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(12(16)15-13(2,3)4)14-8-7-11-6-5-9-17-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyJAZSDMANORAWIO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.71
Rot. Bonds5

About N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide

N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide (PubChem CID 60676843) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
PubChem CID60676843
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
SMILESCC(NCCc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(12(16)15-13(2,3)4)14-8-7-11-6-5-9-17-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyJAZSDMANORAWIO-UHFFFAOYSA-N
XLogP1.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60638480
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
CID 115706553
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide (CID 60676843) is N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide is CC(NCCc1ccco1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide?
The InChIKey is JAZSDMANORAWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(12(16)15-13(2,3)4)14-8-7-11-6-5-9-17-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide?
N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide is sourced from PubChem (CID 60676843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).