(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide

C19H28N2O5 — CID 97246443

IUPAC(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[C@@H]2CCCOC2)o1
InChIInChI=1S/C19H28N2O5/c1-13-6-7-17(26-13)16(21-19(23)15-5-3-9-25-12-15)10-20-18(22)14-4-2-8-24-11-14/h6-7,14-16H,2-5,8-12H2,1H3,(H,20,22)(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyMBZMDWNZAWMOLX-OAGGEKHMSA-N
MW364.44 g/mol
LogP1.71
Rot. Bonds6

About (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide

(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide (PubChem CID 97246443) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
PubChem CID97246443
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[C@@H]2CCCOC2)o1
InChIInChI=1S/C19H28N2O5/c1-13-6-7-17(26-13)16(21-19(23)15-5-3-9-25-12-15)10-20-18(22)14-4-2-8-24-11-14/h6-7,14-16H,2-5,8-12H2,1H3,(H,20,22)(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyMBZMDWNZAWMOLX-OAGGEKHMSA-N
XLogP1.71
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide with MolForge

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Related Compounds

(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 124840850
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
(3R)-3-[[(3S)-oxane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124704349
(5-methylfuran-2-yl)-(oxan-3-yl)methanone
CID 63011733
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
CID 115689533

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide (CID 97246443) is (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide is Cc1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[C@@H]2CCCOC2)o1.
What is the InChIKey of (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide?
The InChIKey is MBZMDWNZAWMOLX-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13-6-7-17(26-13)16(21-19(23)15-5-3-9-25-12-15)10-20-18(22)14-4-2-8-24-11-14/h6-7,14-16H,2-5,8-12H2,1H3,(H,20,22)(H,21,23)/t14-,15-,16+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide?
(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 97246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).