(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide

C19H27N3O4 — CID 72894334

IUPAC(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
SMILESC/C=C/CC(=O)N1C[C@H](NC(=O)c2ccoc2)C[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C19H27N3O4/c1-4-7-8-17(23)22-12-15(20-18(24)14-9-10-26-13-14)11-16(22)19(25)21(5-2)6-3/h4,7,9-10,13,15-16H,5-6,8,11-12H2,1-3H3,(H,20,24)/b7-4+/t15-,16+/m1/s1
InChIKeyFXBZQPOWHPOGTN-YFWHOBGESA-N
MW361.44 g/mol
LogP1.81
Rot. Bonds7

About (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide

(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide (PubChem CID 72894334) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
PubChem CID72894334
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
SMILESC/C=C/CC(=O)N1C[C@H](NC(=O)c2ccoc2)C[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C19H27N3O4/c1-4-7-8-17(23)22-12-15(20-18(24)14-9-10-26-13-14)11-16(22)19(25)21(5-2)6-3/h4,7,9-10,13,15-16H,5-6,8,11-12H2,1-3H3,(H,20,24)/b7-4+/t15-,16+/m1/s1
InChIKeyFXBZQPOWHPOGTN-YFWHOBGESA-N
XLogP1.81
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
CID 72884874
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
N-(4-oxocyclohexyl)furan-3-carboxamide
CID 43652764
(2S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-diethyl-4-(pent-3-enoylamino)pyrrolidine-2-carboxamide
CID 91940113
(2S,4S)-N-ethyl-4-(furan-3-carbonylamino)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 72885911
(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72837789

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide (CID 72894334) is (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide is C/C=C/CC(=O)N1C[C@H](NC(=O)c2ccoc2)C[C@H]1C(=O)N(CC)CC.
What is the InChIKey of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide?
The InChIKey is FXBZQPOWHPOGTN-YFWHOBGESA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-7-8-17(23)22-12-15(20-18(24)14-9-10-26-13-14)11-16(22)19(25)21(5-2)6-3/h4,7,9-10,13,15-16H,5-6,8,11-12H2,1-3H3,(H,20,24)/b7-4+/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide?
(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).