N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide

C17H35N3O2 — CID 90364828

IUPACN-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
SMILESCCNC(CCCCNC(=O)C(C)CCCCNC)C(C)=O
InChIInChI=1S/C17H35N3O2/c1-5-19-16(15(3)21)11-7-9-13-20-17(22)14(2)10-6-8-12-18-4/h14,16,18-19H,5-13H2,1-4H3,(H,20,22)
InChIKeyJCYJFFYESXXNFM-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.87
Rot. Bonds14

About N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide

N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide (PubChem CID 90364828) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
PubChem CID90364828
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC NameN-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
SMILESCCNC(CCCCNC(=O)C(C)CCCCNC)C(C)=O
InChIInChI=1S/C17H35N3O2/c1-5-19-16(15(3)21)11-7-9-13-20-17(22)14(2)10-6-8-12-18-4/h14,16,18-19H,5-13H2,1-4H3,(H,20,22)
InChIKeyJCYJFFYESXXNFM-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
3,7-bis(ethylamino)heptan-2-one
CID 143994128
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
2-methyl-N-nonyldecanamide
CID 141429494
N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
CID 88975780
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide?
The IUPAC name of N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide (CID 90364828) is N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide.
What is the SMILES notation for N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide?
The canonical SMILES for N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide is CCNC(CCCCNC(=O)C(C)CCCCNC)C(C)=O.
What is the InChIKey of N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide?
The InChIKey is JCYJFFYESXXNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-5-19-16(15(3)21)11-7-9-13-20-17(22)14(2)10-6-8-12-18-4/h14,16,18-19H,5-13H2,1-4H3,(H,20,22).
What are the key properties of N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide?
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide has a molecular weight of 313.49 g/mol, XLogP of 1.87, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide is sourced from PubChem (CID 90364828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).