N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide

C13H26N2O4 — CID 177325899

IUPACN-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
SMILESCCCOCCOCC(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C13H26N2O4/c1-2-7-18-8-9-19-11-13(17)15-6-4-3-5-12(14)10-16/h10,12H,2-9,11,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKVAIFOKYHMUTNZ-LBPRGKRZSA-N
MW274.36 g/mol
LogP0.24
Rot. Bonds13

About N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide

N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide (PubChem CID 177325899) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
PubChem CID177325899
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
SMILESCCCOCCOCC(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C13H26N2O4/c1-2-7-18-8-9-19-11-13(17)15-6-4-3-5-12(14)10-16/h10,12H,2-9,11,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKVAIFOKYHMUTNZ-LBPRGKRZSA-N
XLogP0.24
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
CID 145263560
18-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 123831467
20-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 155232244
18-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123862795
20-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 143864267
2-(methylamino)-6-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 175629814
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
CID 139325563
(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide?
The IUPAC name of N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide (CID 177325899) is N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide.
What is the SMILES notation for N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide?
The canonical SMILES for N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide is CCCOCCOCC(=O)NCCCC[C@H](N)C=O.
What is the InChIKey of N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide?
The InChIKey is KVAIFOKYHMUTNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-2-7-18-8-9-19-11-13(17)15-6-4-3-5-12(14)10-16/h10,12H,2-9,11,14H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide?
N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide has a molecular weight of 274.36 g/mol, XLogP of 0.24, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide is sourced from PubChem (CID 177325899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).