N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide

C16H31N3O5 — CID 159839160

IUPACN-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide
SMILESCCCCNC(=O)C(CCCCNC(=O)COC)NC(=O)COC
InChIInChI=1S/C16H31N3O5/c1-4-5-9-18-16(22)13(19-15(21)12-24-3)8-6-7-10-17-14(20)11-23-2/h13H,4-12H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyNOLRVMIVAISTLA-UHFFFAOYSA-N
MW345.44 g/mol
LogP-0.03
Rot. Bonds14

About N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide

N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide (PubChem CID 159839160) has the molecular formula C16H31N3O5 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide
PubChem CID159839160
Molecular FormulaC16H31N3O5
Molecular Weight345.44 g/mol
Exact Mass345.23
IUPAC NameN-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide
SMILESCCCCNC(=O)C(CCCCNC(=O)COC)NC(=O)COC
InChIInChI=1S/C16H31N3O5/c1-4-5-9-18-16(22)13(19-15(21)12-24-3)8-6-7-10-17-14(20)11-23-2/h13H,4-12H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyNOLRVMIVAISTLA-UHFFFAOYSA-N
XLogP-0.03
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-nonylacetamide
CID 86922058
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
2-methoxy-N-(3-pentyldecyl)acetamide
CID 167202084
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
(2S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-2,5-bis(propanoylamino)pentanamide
CID 159171513

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide?
The IUPAC name of N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide (CID 159839160) is N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide.
What is the SMILES notation for N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide?
The canonical SMILES for N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide is CCCCNC(=O)C(CCCCNC(=O)COC)NC(=O)COC.
What is the InChIKey of N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide?
The InChIKey is NOLRVMIVAISTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O5/c1-4-5-9-18-16(22)13(19-15(21)12-24-3)8-6-7-10-17-14(20)11-23-2/h13H,4-12H2,1-3H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide?
N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide has a molecular weight of 345.44 g/mol, XLogP of -0.03, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide is sourced from PubChem (CID 159839160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).