N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H24N2O5 — CID 95300670

IUPACN-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(C)COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccco1
InChIInChI=1S/C18H24N2O5/c1-12(2)9-24-11-15(16-5-4-7-25-16)20-17(21)13(3)19-18(22)14-6-8-23-10-14/h4-8,10,12-13,15H,9,11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+/m0/s1
InChIKeyBIKDYYYZRYQLJW-DZGCQCFKSA-N
MW348.40 g/mol
LogP2.52
Rot. Bonds9

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

N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 95300670) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID95300670
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(C)COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccco1
InChIInChI=1S/C18H24N2O5/c1-12(2)9-24-11-15(16-5-4-7-25-16)20-17(21)13(3)19-18(22)14-6-8-23-10-14/h4-8,10,12-13,15H,9,11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+/m0/s1
InChIKeyBIKDYYYZRYQLJW-DZGCQCFKSA-N
XLogP2.52
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95299394
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 95300670) is N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(C)COC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccco1.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is BIKDYYYZRYQLJW-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)9-24-11-15(16-5-4-7-25-16)20-17(21)13(3)19-18(22)14-6-8-23-10-14/h4-8,10,12-13,15H,9,11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 95300670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).