(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide

C15H25N3O2 — CID 97099166

IUPAC(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@H]1CCN(C(=O)NCc2ccoc2C)C1
InChIInChI=1S/C15H25N3O2/c1-4-17(3)10-13-5-7-18(11-13)15(19)16-9-14-6-8-20-12(14)2/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyLYMNCXZISQBLBT-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.07
Rot. Bonds5

About (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide

(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97099166) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97099166
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@H]1CCN(C(=O)NCc2ccoc2C)C1
InChIInChI=1S/C15H25N3O2/c1-4-17(3)10-13-5-7-18(11-13)15(19)16-9-14-6-8-20-12(14)2/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyLYMNCXZISQBLBT-CYBMUJFWSA-N
XLogP2.07
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
(2-methylfuran-3-yl)methylurea
CID 130639643
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 95786491
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
CID 166289705
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 95786677
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 95782518
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide (CID 97099166) is (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide is CCN(C)C[C@H]1CCN(C(=O)NCc2ccoc2C)C1.
What is the InChIKey of (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is LYMNCXZISQBLBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-17(3)10-13-5-7-18(11-13)15(19)16-9-14-6-8-20-12(14)2/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97099166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).