N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide

C13H25N3O5 — CID 145263560

IUPACN-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
SMILESNC(C=O)CCCCNC(=O)COCCOCCNC=O
InChIInChI=1S/C13H25N3O5/c14-12(9-17)3-1-2-4-16-13(19)10-21-8-7-20-6-5-15-11-18/h9,11-12H,1-8,10,14H2,(H,15,18)(H,16,19)
InChIKeyYHVPGTPAYSESFD-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.42
Rot. Bonds15

About N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide

N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide (PubChem CID 145263560) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
PubChem CID145263560
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC NameN-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
SMILESNC(C=O)CCCCNC(=O)COCCOCCNC=O
InChIInChI=1S/C13H25N3O5/c14-12(9-17)3-1-2-4-16-13(19)10-21-8-7-20-6-5-15-11-18/h9,11-12H,1-8,10,14H2,(H,15,18)(H,16,19)
InChIKeyYHVPGTPAYSESFD-UHFFFAOYSA-N
XLogP-1.42
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
CID 177325899
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
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-[[(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
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
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
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
(2S)-6-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-aminohexanoic acid
CID 134198402
4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 177324928
2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
CID 174360770
4-[12-[[4-[2-[2-[2-[[(5S)-5-amino-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-12-oxododecoxy]benzoic acid
CID 87684764
N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144843670

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide?
The IUPAC name of N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide (CID 145263560) is N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide.
What is the SMILES notation for N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide?
The canonical SMILES for N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide is NC(C=O)CCCCNC(=O)COCCOCCNC=O.
What is the InChIKey of N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide?
The InChIKey is YHVPGTPAYSESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c14-12(9-17)3-1-2-4-16-13(19)10-21-8-7-20-6-5-15-11-18/h9,11-12H,1-8,10,14H2,(H,15,18)(H,16,19).
What are the key properties of N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide?
N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide has a molecular weight of 303.36 g/mol, XLogP of -1.42, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide is sourced from PubChem (CID 145263560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).