N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide

C18H26N2O5 — CID 91117543

IUPACN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(CC(C)(C)C)C(=O)N[C@@H]1C(=O)CO[C@H]1C
InChIInChI=1S/C18H26N2O5/c1-10-12(6-7-24-10)16(22)19-13(8-18(3,4)5)17(23)20-15-11(2)25-9-14(15)21/h6-7,11,13,15H,8-9H2,1-5H3,(H,19,22)(H,20,23)/t11-,13?,15-/m0/s1
InChIKeyJDFIQATYHQQFOG-BJLZJLDMSA-N
MW350.42 g/mol
LogP1.60
Rot. Bonds5

About N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide

N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 91117543) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
PubChem CID91117543
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(CC(C)(C)C)C(=O)N[C@@H]1C(=O)CO[C@H]1C
InChIInChI=1S/C18H26N2O5/c1-10-12(6-7-24-10)16(22)19-13(8-18(3,4)5)17(23)20-15-11(2)25-9-14(15)21/h6-7,11,13,15H,8-9H2,1-5H3,(H,19,22)(H,20,23)/t11-,13?,15-/m0/s1
InChIKeyJDFIQATYHQQFOG-BJLZJLDMSA-N
XLogP1.60
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide (CID 91117543) is N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(CC(C)(C)C)C(=O)N[C@@H]1C(=O)CO[C@H]1C.
What is the InChIKey of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is JDFIQATYHQQFOG-BJLZJLDMSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-10-12(6-7-24-10)16(22)19-13(8-18(3,4)5)17(23)20-15-11(2)25-9-14(15)21/h6-7,11,13,15H,8-9H2,1-5H3,(H,19,22)(H,20,23)/t11-,13?,15-/m0/s1.
What are the key properties of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide?
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 91117543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).