N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide

C16H21NO4 — CID 95293966

IUPACN-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@H](COCC(C)C)c1ccco1
InChIInChI=1S/C16H21NO4/c1-11(2)9-19-10-14(15-5-4-7-21-15)17-16(18)13-6-8-20-12(13)3/h4-8,11,14H,9-10H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyFRYXEVNLCRHLQM-CQSZACIVSA-N
MW291.35 g/mol
LogP3.32
Rot. Bonds7

About N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide

N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 95293966) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
PubChem CID95293966
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@H](COCC(C)C)c1ccco1
InChIInChI=1S/C16H21NO4/c1-11(2)9-19-10-14(15-5-4-7-21-15)17-16(18)13-6-8-20-12(13)3/h4-8,11,14H,9-10H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyFRYXEVNLCRHLQM-CQSZACIVSA-N
XLogP3.32
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206458
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95300670
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide (CID 95293966) is N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@H](COCC(C)C)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is FRYXEVNLCRHLQM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)9-19-10-14(15-5-4-7-21-15)17-16(18)13-6-8-20-12(13)3/h4-8,11,14H,9-10H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide?
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 95293966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).