(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide

C18H30N2O3 — CID 98891805

IUPAC(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCCc1ccc([C@H](NC(=O)N2CC[C@H]([C@H](C)O)C2)C(C)(C)C)o1
InChIInChI=1S/C18H30N2O3/c1-6-14-7-8-15(23-14)16(18(3,4)5)19-17(22)20-10-9-13(11-20)12(2)21/h7-8,12-13,16,21H,6,9-11H2,1-5H3,(H,19,22)/t12-,13-,16-/m0/s1
InChIKeyALWDHJTXNRTJPC-XEZPLFJOSA-N
MW322.45 g/mol
LogP3.34
Rot. Bonds4

About (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide

(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 98891805) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID98891805
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCCc1ccc([C@H](NC(=O)N2CC[C@H]([C@H](C)O)C2)C(C)(C)C)o1
InChIInChI=1S/C18H30N2O3/c1-6-14-7-8-15(23-14)16(18(3,4)5)19-17(22)20-10-9-13(11-20)12(2)21/h7-8,12-13,16,21H,6,9-11H2,1-5H3,(H,19,22)/t12-,13-,16-/m0/s1
InChIKeyALWDHJTXNRTJPC-XEZPLFJOSA-N
XLogP3.34
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 96568903
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
2-(2,6-dimethylanilino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110022871
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide
CID 86948803

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide (CID 98891805) is (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide is CCc1ccc([C@H](NC(=O)N2CC[C@H]([C@H](C)O)C2)C(C)(C)C)o1.
What is the InChIKey of (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is ALWDHJTXNRTJPC-XEZPLFJOSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-14-7-8-15(23-14)16(18(3,4)5)19-17(22)20-10-9-13(11-20)12(2)21/h7-8,12-13,16,21H,6,9-11H2,1-5H3,(H,19,22)/t12-,13-,16-/m0/s1.
What are the key properties of (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98891805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).