(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H29N3O4 — CID 72840620

IUPAC(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccco2)CN1C1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-3-21(4-2)19(24)16-12-14(20-18(23)17-6-5-9-26-17)13-22(16)15-7-10-25-11-8-15/h5-6,9,14-16H,3-4,7-8,10-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyBFIARYUWWRFFOW-ZBFHGGJFSA-N
MW363.46 g/mol
LogP1.50
Rot. Bonds6

About (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 72840620) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID72840620
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccco2)CN1C1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-3-21(4-2)19(24)16-12-14(20-18(23)17-6-5-9-26-17)13-22(16)15-7-10-25-11-8-15/h5-6,9,14-16H,3-4,7-8,10-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyBFIARYUWWRFFOW-ZBFHGGJFSA-N
XLogP1.50
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N,N-diethyl-1-(oxan-4-yl)-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
CID 72883740
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
(2S,4R)-N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880491
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 171154222
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 72840620) is (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccco2)CN1C1CCOCC1.
What is the InChIKey of (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is BFIARYUWWRFFOW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-3-21(4-2)19(24)16-12-14(20-18(23)17-6-5-9-26-17)13-22(16)15-7-10-25-11-8-15/h5-6,9,14-16H,3-4,7-8,10-13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72840620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).