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

C25H30ClNO4 — CID 44589818

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C25H30ClNO4/c1-29-18-20-4-2-3-5-23(20)24(28)27(15-12-19-6-8-21(26)9-7-19)22-10-13-25(14-11-22)30-16-17-31-25/h2-9,22H,10-18H2,1H3
InChIKeyZIQBTEHAGKTCCC-UHFFFAOYSA-N
MW443.97 g/mol
LogP4.86
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide (PubChem CID 44589818) has the molecular formula C25H30ClNO4 and a molecular weight of 443.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide
PubChem CID44589818
Molecular FormulaC25H30ClNO4
Molecular Weight443.97 g/mol
Exact Mass443.19
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C25H30ClNO4/c1-29-18-20-4-2-3-5-23(20)24(28)27(15-12-19-6-8-21(26)9-7-19)22-10-13-25(14-11-22)30-16-17-31-25/h2-9,22H,10-18H2,1H3
InChIKeyZIQBTEHAGKTCCC-UHFFFAOYSA-N
XLogP4.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.97
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide (CID 44589818) is N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide?
The InChIKey is ZIQBTEHAGKTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClNO4/c1-29-18-20-4-2-3-5-23(20)24(28)27(15-12-19-6-8-21(26)9-7-19)22-10-13-25(14-11-22)30-16-17-31-25/h2-9,22H,10-18H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide has a molecular weight of 443.97 g/mol, XLogP of 4.86, 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]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 44589818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).