2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane

C14H33N3O2 — CID 171511904

IUPAC2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
SMILESCC.CC.CNCCCCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C10H21N3O2.2C2H6/c1-8(14)13-9(10(15)12-3)6-4-5-7-11-2;2*1-2/h9,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);2*1-2H3
InChIKeySTBDBUQMQRCYIF-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.68
Rot. Bonds7

About 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane

2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane (PubChem CID 171511904) has the molecular formula C14H33N3O2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane.

Molecular Properties

Compound Name2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
PubChem CID171511904
Molecular FormulaC14H33N3O2
Molecular Weight275.44 g/mol
Exact Mass275.26
IUPAC Name2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
SMILESCC.CC.CNCCCCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C10H21N3O2.2C2H6/c1-8(14)13-9(10(15)12-3)6-4-5-7-11-2;2*1-2/h9,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);2*1-2H3
InChIKeySTBDBUQMQRCYIF-UHFFFAOYSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
methyl 4-[[(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]amino]-4-oxobutanoate
CID 161373398
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
CID 20593439
[3-acetamido-4-(methylamino)-4-oxobutyl]-methyl-oxophosphanium
CID 72538863
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
CID 88975780
(2R)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoic acid
CID 5462243

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane?
The IUPAC name of 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane (CID 171511904) is 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane.
What is the SMILES notation for 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane?
The canonical SMILES for 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane is CC.CC.CNCCCCC(NC(C)=O)C(=O)NC.
What is the InChIKey of 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane?
The InChIKey is STBDBUQMQRCYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.2C2H6/c1-8(14)13-9(10(15)12-3)6-4-5-7-11-2;2*1-2/h9,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);2*1-2H3.
What are the key properties of 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane?
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane has a molecular weight of 275.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane is sourced from PubChem (CID 171511904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).