N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide

C21H30N2O3 — CID 110134107

IUPACN-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CCCN3C)OC2(CCOCC2)C1
InChIInChI=1S/C21H30N2O3/c1-15(24)22-18-13-20(26-21(14-18)7-10-25-11-8-21)17-5-6-19-16(12-17)4-3-9-23(19)2/h5-6,12,18,20H,3-4,7-11,13-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1
InChIKeySKRPANQVNHHFBG-UYAOXDASSA-N
MW358.48 g/mol
LogP2.97
Rot. Bonds2

About N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide

N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110134107) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110134107
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CCCN3C)OC2(CCOCC2)C1
InChIInChI=1S/C21H30N2O3/c1-15(24)22-18-13-20(26-21(14-18)7-10-25-11-8-21)17-5-6-19-16(12-17)4-3-9-23(19)2/h5-6,12,18,20H,3-4,7-11,13-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1
InChIKeySKRPANQVNHHFBG-UYAOXDASSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide (CID 110134107) is N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CCCN3C)OC2(CCOCC2)C1.
What is the InChIKey of N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is SKRPANQVNHHFBG-UYAOXDASSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(24)22-18-13-20(26-21(14-18)7-10-25-11-8-21)17-5-6-19-16(12-17)4-3-9-23(19)2/h5-6,12,18,20H,3-4,7-11,13-14H2,1-2H3,(H,22,24)/t18-,20-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide?
N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 358.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,9-dioxaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110134107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).