6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide

C10H19N3O3 — CID 91393325

IUPAC6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
SMILESNCC(=O)NCCCCCC(=O)NCC=O
InChIInChI=1S/C10H19N3O3/c11-8-10(16)12-5-3-1-2-4-9(15)13-6-7-14/h7H,1-6,8,11H2,(H,12,16)(H,13,15)
InChIKeyQEHPYRFQKCCEGA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.06
Rot. Bonds9

About 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide

6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide (PubChem CID 91393325) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide.

Molecular Properties

Compound Name6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
PubChem CID91393325
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
SMILESNCC(=O)NCCCCCC(=O)NCC=O
InChIInChI=1S/C10H19N3O3/c11-8-10(16)12-5-3-1-2-4-9(15)13-6-7-14/h7H,1-6,8,11H2,(H,12,16)(H,13,15)
InChIKeyQEHPYRFQKCCEGA-UHFFFAOYSA-N
XLogP-1.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide?
The IUPAC name of 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide (CID 91393325) is 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide.
What is the SMILES notation for 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide?
The canonical SMILES for 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide is NCC(=O)NCCCCCC(=O)NCC=O.
What is the InChIKey of 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide?
The InChIKey is QEHPYRFQKCCEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-8-10(16)12-5-3-1-2-4-9(15)13-6-7-14/h7H,1-6,8,11H2,(H,12,16)(H,13,15).
What are the key properties of 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide?
6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide has a molecular weight of 229.28 g/mol, XLogP of -1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide is sourced from PubChem (CID 91393325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).