N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C18H22ClN3O4 — CID 2340853

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C18H22ClN3O4/c1-26-14-7-6-12(10-13(14)19)20-15(23)11-22-16(24)18(21-17(22)25)8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyWOGBFTSSFMBSTP-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.93
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2340853) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2340853
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C18H22ClN3O4/c1-26-14-7-6-12(10-13(14)19)20-15(23)11-22-16(24)18(21-17(22)25)8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyWOGBFTSSFMBSTP-UHFFFAOYSA-N
XLogP2.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2340853) is N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is WOGBFTSSFMBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-26-14-7-6-12(10-13(14)19)20-15(23)11-22-16(24)18(21-17(22)25)8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2340853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).