N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C27H36N2O4 — CID 26346628

IUPACN-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCC1(C)C[C@](CCNC(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)(c2ccccc2)CCO1
InChIInChI=1S/C27H36N2O4/c1-25(2)20-26(15-18-33-25,21-7-4-3-5-8-21)14-16-28-23(30)10-12-27(13-11-24(31)29-27)19-22-9-6-17-32-22/h3-9,17H,10-16,18-20H2,1-2H3,(H,28,30)(H,29,31)/t26-,27-/m1/s1
InChIKeyRYSLLPDDQXLPGX-KAYWLYCHSA-N
MW452.60 g/mol
LogP4.28
Rot. Bonds9

About N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 26346628) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID26346628
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCC1(C)C[C@](CCNC(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)(c2ccccc2)CCO1
InChIInChI=1S/C27H36N2O4/c1-25(2)20-26(15-18-33-25,21-7-4-3-5-8-21)14-16-28-23(30)10-12-27(13-11-24(31)29-27)19-22-9-6-17-32-22/h3-9,17H,10-16,18-20H2,1-2H3,(H,28,30)(H,29,31)/t26-,27-/m1/s1
InChIKeyRYSLLPDDQXLPGX-KAYWLYCHSA-N
XLogP4.28
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
N-[2-(furan-2-yl)ethyl]-3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26397502
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 45237888
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 45179438
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 99928565
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 99939846
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77083886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 26346628) is N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is CC1(C)C[C@](CCNC(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)(c2ccccc2)CCO1.
What is the InChIKey of N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is RYSLLPDDQXLPGX-KAYWLYCHSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-25(2)20-26(15-18-33-25,21-7-4-3-5-8-21)14-16-28-23(30)10-12-27(13-11-24(31)29-27)19-22-9-6-17-32-22/h3-9,17H,10-16,18-20H2,1-2H3,(H,28,30)(H,29,31)/t26-,27-/m1/s1.
What are the key properties of N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 452.60 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 26346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).