N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide

C16H29N3O4 — CID 160754701

IUPACN-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
SMILESCCC(=O)CN(CC(=O)NC)CC(=O)NCCCCCC(C)=O
InChIInChI=1S/C16H29N3O4/c1-4-14(21)10-19(11-15(22)17-3)12-16(23)18-9-7-5-6-8-13(2)20/h4-12H2,1-3H3,(H,17,22)(H,18,23)
InChIKeySTSDWGNDECRJDK-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.28
Rot. Bonds13

About N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide

N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide (PubChem CID 160754701) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
PubChem CID160754701
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC NameN-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
SMILESCCC(=O)CN(CC(=O)NC)CC(=O)NCCCCCC(C)=O
InChIInChI=1S/C16H29N3O4/c1-4-14(21)10-19(11-15(22)17-3)12-16(23)18-9-7-5-6-8-13(2)20/h4-12H2,1-3H3,(H,17,22)(H,18,23)
InChIKeySTSDWGNDECRJDK-UHFFFAOYSA-N
XLogP0.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[bis[2-[[4-(methylamino)-4-oxobutyl]amino]-2-oxoethyl]amino]-N-methyl-6-oxoheptanamide;9-[bis[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]amino]-N-methyl-8-oxononanamide;2-[bis(2-oxobutyl)amino]-N-methylacetamide;7-[[2-[2,10-dioxoundecyl-[2-[[7-(methylamino)-7-oxoheptyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-methylheptanamide;tungsten
CID 159174586
CID 168891726
CID 168891726
N-(12-oxotridecyl)propanamide
CID 171540592
N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide
CID 155427463
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
N-(2,9-dioxoundecyl)-N'-methyl-N-[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-oxononanediamide;N-[2-(methylamino)-2-oxoethyl]-N-(2-oxobutyl)butanamide;N'-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-N-(2-oxobutyl)nonanediamide
CID 161119382
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
N-(10-oxoundecyl)dodecanamide
CID 171771299
6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
CID 118017030

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide?
The IUPAC name of N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide (CID 160754701) is N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide is CCC(=O)CN(CC(=O)NC)CC(=O)NCCCCCC(C)=O.
What is the InChIKey of N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide?
The InChIKey is STSDWGNDECRJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-4-14(21)10-19(11-15(22)17-3)12-16(23)18-9-7-5-6-8-13(2)20/h4-12H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide?
N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide has a molecular weight of 327.43 g/mol, XLogP of 0.28, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide is sourced from PubChem (CID 160754701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).