4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide

C13H20N2O3 — CID 81399674

IUPAC4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C13H20N2O3/c1-3-14-11-8-17-7-10(11)13(16)15-9(2)12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyPLBYYDZSSSZZNK-WHXUTIOJSA-N
MW252.31 g/mol
LogP1.08
Rot. Bonds5

About 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide

4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 81399674) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID81399674
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C13H20N2O3/c1-3-14-11-8-17-7-10(11)13(16)15-9(2)12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyPLBYYDZSSSZZNK-WHXUTIOJSA-N
XLogP1.08
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
N-[1-(2-chlorophenyl)propan-2-yl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257504
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258317
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 79100449

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide (CID 81399674) is 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is PLBYYDZSSSZZNK-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-14-11-8-17-7-10(11)13(16)15-9(2)12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,15,16)/t9-,10?,11?/m0/s1.
What are the key properties of 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 81399674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).