N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide

C15H21NO5 — CID 171147056

IUPACN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCO[C@H]1[C@H](N(C)C(=O)C=Cc2ccco2)COC[C@H]1OC
InChIInChI=1S/C15H21NO5/c1-16(14(17)7-6-11-5-4-8-21-11)12-9-20-10-13(18-2)15(12)19-3/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyVPWJKZTZDNUYSU-NFAWXSAZSA-N
MW295.33 g/mol
LogP1.18
Rot. Bonds5

About N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide

N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 171147056) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID171147056
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCO[C@H]1[C@H](N(C)C(=O)C=Cc2ccco2)COC[C@H]1OC
InChIInChI=1S/C15H21NO5/c1-16(14(17)7-6-11-5-4-8-21-11)12-9-20-10-13(18-2)15(12)19-3/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyVPWJKZTZDNUYSU-NFAWXSAZSA-N
XLogP1.18
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 171147067
(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
CID 90606971
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate
CID 43409527
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide (CID 171147056) is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide is CO[C@H]1[C@H](N(C)C(=O)C=Cc2ccco2)COC[C@H]1OC.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is VPWJKZTZDNUYSU-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H21NO5/c1-16(14(17)7-6-11-5-4-8-21-11)12-9-20-10-13(18-2)15(12)19-3/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-,15+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide?
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 295.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 171147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).