2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide

C13H20N2O3 — CID 18127116

IUPAC2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC(C)c1ccco1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16)
InChIKeyCVRHXTMZNJCHDC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.62
Rot. Bonds5

About 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide

2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide (PubChem CID 18127116) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
PubChem CID18127116
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC(C)c1ccco1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16)
InChIKeyCVRHXTMZNJCHDC-UHFFFAOYSA-N
XLogP1.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 73419570
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793
(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 39965551
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81400828
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide (CID 18127116) is 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide is CC(=O)NC(C(=O)NC(C)c1ccco1)C(C)C.
What is the InChIKey of 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is CVRHXTMZNJCHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide?
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 252.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 18127116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).