N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

C13H22N2O2 — CID 81401281

IUPACN-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESCC(N[C@H](C)c1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-9(11-7-6-8-17-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyXGZQEHJHPAVXRE-YHMJZVADSA-N
MW238.33 g/mol
LogP2.23
Rot. Bonds4

About N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (PubChem CID 81401281) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
PubChem CID81401281
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESCC(N[C@H](C)c1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-9(11-7-6-8-17-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyXGZQEHJHPAVXRE-YHMJZVADSA-N
XLogP2.23
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
(2R)-N-(4-acetylphenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8918884
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60676843

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (CID 81401281) is N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is CC(N[C@H](C)c1ccco1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The InChIKey is XGZQEHJHPAVXRE-YHMJZVADSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(11-7-6-8-17-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 81401281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).