N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide

C20H34N4O3S — CID 110034229

IUPACN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NCCCOCCOCc1ccccc1
InChIInChI=1S/C20H34N4O3S/c1-24(2)19(25)16-23-20(22-11-15-28-3)21-10-7-12-26-13-14-27-17-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H2,21,22,23)
InChIKeyPNFMQPASZLCADE-UHFFFAOYSA-N
MW410.58 g/mol
LogP1.60
Rot. Bonds14

About N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide (PubChem CID 110034229) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
PubChem CID110034229
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NCCCOCCOCc1ccccc1
InChIInChI=1S/C20H34N4O3S/c1-24(2)19(25)16-23-20(22-11-15-28-3)21-10-7-12-26-13-14-27-17-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H2,21,22,23)
InChIKeyPNFMQPASZLCADE-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035703
2-[[(cyclohexylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034221
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
CID 110036209
2-[[(3-ethoxypropylamino)-(3-phenoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363796
2-[[[3-(cyclopropylmethoxy)propylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751652
2-[[[2-[(4-methoxyphenyl)methoxy]ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037046
2-[[[2-(3-fluorophenyl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111907259
2-[[[2-(3-chlorophenyl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111907315
2-[[(3-ethoxypropylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111496187
N,N-dimethyl-2-[[(pentylamino)-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 111765955
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
CID 111907229
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide (CID 110034229) is N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide is CSCCN/C(=N\CC(=O)N(C)C)NCCCOCCOCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
The InChIKey is PNFMQPASZLCADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-24(2)19(25)16-23-20(22-11-15-28-3)21-10-7-12-26-13-14-27-17-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide has a molecular weight of 410.58 g/mol, XLogP of 1.60, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 110034229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).