N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide

C19H24N2O3 — CID 166405884

IUPACN-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21
InChIInChI=1S/C19H24N2O3/c1-2-18(22)20-11-10-19(23)21-12-6-9-16-15(21)13-17(24-16)14-7-4-3-5-8-14/h2-5,7-8,15-17H,1,6,9-13H2,(H,20,22)/t15-,16-,17-/m0/s1
InChIKeyJGFIRUVFUWZHIV-ULQDDVLXSA-N
MW328.41 g/mol
LogP2.20
Rot. Bonds5

About N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide

N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide (PubChem CID 166405884) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide
PubChem CID166405884
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21
InChIInChI=1S/C19H24N2O3/c1-2-18(22)20-11-10-19(23)21-12-6-9-16-15(21)13-17(24-16)14-7-4-3-5-8-14/h2-5,7-8,15-17H,1,6,9-13H2,(H,20,22)/t15-,16-,17-/m0/s1
InChIKeyJGFIRUVFUWZHIV-ULQDDVLXSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide with MolForge

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Related Compounds

1-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]prop-2-en-1-one
CID 126831927
N-[3-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166405811
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylurea
CID 66794348
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-3-phenylprop-2-enamide
CID 66795077
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylthiourea
CID 87154059
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166411128
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
N-[3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 134701533
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
N-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]prop-2-enamide
CID 154870943
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 26178024

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide?
The IUPAC name of N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide (CID 166405884) is N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide?
The canonical SMILES for N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide is C=CC(=O)NCCC(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21.
What is the InChIKey of N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide?
The InChIKey is JGFIRUVFUWZHIV-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-18(22)20-11-10-19(23)21-12-6-9-16-15(21)13-17(24-16)14-7-4-3-5-8-14/h2-5,7-8,15-17H,1,6,9-13H2,(H,20,22)/t15-,16-,17-/m0/s1.
What are the key properties of N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide?
N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide has a molecular weight of 328.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,3aS,7aS)-2-phenyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-oxopropyl]prop-2-enamide is sourced from PubChem (CID 166405884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).