N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide

C18H36N4O3S — CID 170008444

IUPACN-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide
SMILESCCCCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(C)S
InChIInChI=1S/C18H36N4O3S/c1-7-8-9-10-20(4)17(24)13-22(6)18(25)14-21(5)16(23)12-19(3)11-15(2)26/h15,26H,7-14H2,1-6H3
InChIKeyBXHMSMITXHNAFR-UHFFFAOYSA-N
MW388.58 g/mol
LogP0.80
Rot. Bonds12

About N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide

N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide (PubChem CID 170008444) has the molecular formula C18H36N4O3S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide
PubChem CID170008444
Molecular FormulaC18H36N4O3S
Molecular Weight388.58 g/mol
Exact Mass388.25
IUPAC NameN-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide
SMILESCCCCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(C)S
InChIInChI=1S/C18H36N4O3S/c1-7-8-9-10-20(4)17(24)13-22(6)18(25)14-21(5)16(23)12-19(3)11-15(2)26/h15,26H,7-14H2,1-6H3
InChIKeyBXHMSMITXHNAFR-UHFFFAOYSA-N
XLogP0.80
TPSA64.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[5-[di(nonyl)amino]pentyl]-N-methylacetamide
CID 177193825
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[3-[di(nonyl)amino]propyl]-N-methylacetamide
CID 168924626
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82327127
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide?
The IUPAC name of N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide (CID 170008444) is N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide is CCCCCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(C)S.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide?
The InChIKey is BXHMSMITXHNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3S/c1-7-8-9-10-20(4)17(24)13-22(6)18(25)14-21(5)16(23)12-19(3)11-15(2)26/h15,26H,7-14H2,1-6H3.
What are the key properties of N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide?
N-methyl-N-[2-[methyl-[2-[methyl(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide has a molecular weight of 388.58 g/mol, XLogP of 0.80, 12 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(pentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-sulfanylpropyl)amino]acetamide is sourced from PubChem (CID 170008444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).