N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide

C17H34N4O3S — CID 166733349

IUPACN-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
SMILESCC(C)CCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CS
InChIInChI=1S/C17H34N4O3S/c1-14(2)8-7-9-19(4)16(23)11-21(6)17(24)12-20(5)15(22)10-18(3)13-25/h14,25H,7-13H2,1-6H3
InChIKeyPXLQJALZOGNEAB-UHFFFAOYSA-N
MW374.55 g/mol
LogP0.62
Rot. Bonds11

About N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide

N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide (PubChem CID 166733349) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
PubChem CID166733349
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC NameN-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
SMILESCC(C)CCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CS
InChIInChI=1S/C17H34N4O3S/c1-14(2)8-7-9-19(4)16(23)11-21(6)17(24)12-20(5)15(22)10-18(3)13-25/h14,25H,7-13H2,1-6H3
InChIKeyPXLQJALZOGNEAB-UHFFFAOYSA-N
XLogP0.62
TPSA64.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
N-[2-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methyl-2-[methyl(2-methylpropyl)amino]acetamide
CID 166678673
N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide
CID 170008444
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869399
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
CID 58534733
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115179489

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide?
The IUPAC name of N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide (CID 166733349) is N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide is CC(C)CCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CS.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide?
The InChIKey is PXLQJALZOGNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-14(2)8-7-9-19(4)16(23)11-21(6)17(24)12-20(5)15(22)10-18(3)13-25/h14,25H,7-13H2,1-6H3.
What are the key properties of N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide?
N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide has a molecular weight of 374.55 g/mol, XLogP of 0.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide is sourced from PubChem (CID 166733349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).