N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide

C26H33ClN2O3 — CID 44581574

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
SMILESCN(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C26H33ClN2O3/c1-28(2)19-21-5-3-4-6-24(21)25(30)29(16-13-20-7-9-22(27)10-8-20)23-11-14-26(15-12-23)31-17-18-32-26/h3-10,23H,11-19H2,1-2H3
InChIKeyRTYQLZQQYJXVDZ-UHFFFAOYSA-N
MW457.01 g/mol
LogP4.77
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide

N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide (PubChem CID 44581574) has the molecular formula C26H33ClN2O3 and a molecular weight of 457.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
PubChem CID44581574
Molecular FormulaC26H33ClN2O3
Molecular Weight457.01 g/mol
Exact Mass456.22
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
SMILESCN(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C26H33ClN2O3/c1-28(2)19-21-5-3-4-6-24(21)25(30)29(16-13-20-7-9-22(27)10-8-20)23-11-14-26(15-12-23)31-17-18-32-26/h3-10,23H,11-19H2,1-2H3
InChIKeyRTYQLZQQYJXVDZ-UHFFFAOYSA-N
XLogP4.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.01
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide (CID 44581574) is N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide is CN(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide?
The InChIKey is RTYQLZQQYJXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O3/c1-28(2)19-21-5-3-4-6-24(21)25(30)29(16-13-20-7-9-22(27)10-8-20)23-11-14-26(15-12-23)31-17-18-32-26/h3-10,23H,11-19H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide has a molecular weight of 457.01 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(dimethylamino)methyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide is sourced from PubChem (CID 44581574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).