N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H19NO3 — CID 103940583

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC[C@H](NC(=O)COC(C)(C)C)c1ccco1
InChIInChI=1S/C12H19NO3/c1-9(10-6-5-7-15-10)13-11(14)8-16-12(2,3)4/h5-7,9H,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyIKBMDNWPZDGSPX-VIFPVBQESA-N
MW225.29 g/mol
LogP2.27
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940583) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940583
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC[C@H](NC(=O)COC(C)(C)C)c1ccco1
InChIInChI=1S/C12H19NO3/c1-9(10-6-5-7-15-10)13-11(14)8-16-12(2,3)4/h5-7,9H,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyIKBMDNWPZDGSPX-VIFPVBQESA-N
XLogP2.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656423
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940583) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is C[C@H](NC(=O)COC(C)(C)C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is IKBMDNWPZDGSPX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(10-6-5-7-15-10)13-11(14)8-16-12(2,3)4/h5-7,9H,8H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 225.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).