N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide

C23H39N3O3 — CID 45175059

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1oc(C)cc1C
InChIInChI=1S/C23H39N3O3/c1-5-25-10-6-7-21(25)17-26(23(27)22-18(2)15-19(3)29-22)16-20-8-11-24(12-9-20)13-14-28-4/h15,20-21H,5-14,16-17H2,1-4H3
InChIKeyHGUVHQCFQRHEHR-UHFFFAOYSA-N
MW405.58 g/mol
LogP3.18
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 45175059) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
PubChem CID45175059
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1oc(C)cc1C
InChIInChI=1S/C23H39N3O3/c1-5-25-10-6-7-21(25)17-26(23(27)22-18(2)15-19(3)29-22)16-20-8-11-24(12-9-20)13-14-28-4/h15,20-21H,5-14,16-17H2,1-4H3
InChIKeyHGUVHQCFQRHEHR-UHFFFAOYSA-N
XLogP3.18
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42513986
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
CID 45168001
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 29153862
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45212641
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
CID 45229833
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 72864451
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide (CID 45175059) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1oc(C)cc1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is HGUVHQCFQRHEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-5-25-10-6-7-21(25)17-26(23(27)22-18(2)15-19(3)29-22)16-20-8-11-24(12-9-20)13-14-28-4/h15,20-21H,5-14,16-17H2,1-4H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 405.58 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 45175059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).