N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide

C12H18N2O2 — CID 94017739

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-2-14-7-3-5-10(14)9-13-12(15)11-6-4-8-16-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeySZSMBTTUJZGJON-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide (PubChem CID 94017739) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
PubChem CID94017739
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-2-14-7-3-5-10(14)9-13-12(15)11-6-4-8-16-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeySZSMBTTUJZGJON-SNVBAGLBSA-N
XLogP1.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046784
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide (CID 94017739) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1ccco1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The InChIKey is SZSMBTTUJZGJON-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14-7-3-5-10(14)9-13-12(15)11-6-4-8-16-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 94017739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).