N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

C17H26N2O4S — CID 60507065

IUPACN-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O4S/c1-14-6-3-4-7-16(14)23-10-5-9-19(2)12-17(20)18-15-8-11-24(21,22)13-15/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,18,20)
InChIKeyMCRXHTWVOYNVRE-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.00
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (PubChem CID 60507065) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
PubChem CID60507065
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O4S/c1-14-6-3-4-7-16(14)23-10-5-9-19(2)12-17(20)18-15-8-11-24(21,22)13-15/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,18,20)
InChIKeyMCRXHTWVOYNVRE-UHFFFAOYSA-N
XLogP1.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
5-(2,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]pentanamide
CID 94808949
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-(2-methylphenoxy)propanehydrazide
CID 8939011
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 127115901
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9106334
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 55849999

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (CID 60507065) is N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is Cc1ccccc1OCCCN(C)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The InChIKey is MCRXHTWVOYNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-6-3-4-7-16(14)23-10-5-9-19(2)12-17(20)18-15-8-11-24(21,22)13-15/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is sourced from PubChem (CID 60507065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).