2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide

C25H43N7O2 — CID 70484422

IUPAC2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CNCc1cccc(OCCCNc2nc(N)nn2C)c1
InChIInChI=1S/C25H43N7O2/c1-3-4-5-6-7-8-9-10-15-28-23(33)20-27-19-21-13-11-14-22(18-21)34-17-12-16-29-25-30-24(26)31-32(25)2/h11,13-14,18,27H,3-10,12,15-17,19-20H2,1-2H3,(H,28,33)(H3,26,29,30,31)
InChIKeyKTFCNBXBKSTMTR-UHFFFAOYSA-N
MW473.67 g/mol
LogP3.62
Rot. Bonds19

About 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide

2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide (PubChem CID 70484422) has the molecular formula C25H43N7O2 and a molecular weight of 473.67 g/mol. Its IUPAC name is 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide.

Molecular Properties

Compound Name2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide
PubChem CID70484422
Molecular FormulaC25H43N7O2
Molecular Weight473.67 g/mol
Exact Mass473.35
IUPAC Name2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CNCc1cccc(OCCCNc2nc(N)nn2C)c1
InChIInChI=1S/C25H43N7O2/c1-3-4-5-6-7-8-9-10-15-28-23(33)20-27-19-21-13-11-14-22(18-21)34-17-12-16-29-25-30-24(26)31-32(25)2/h11,13-14,18,27H,3-10,12,15-17,19-20H2,1-2H3,(H,28,33)(H3,26,29,30,31)
InChIKeyKTFCNBXBKSTMTR-UHFFFAOYSA-N
XLogP3.62
TPSA119.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.67
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide 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

N-[3-[3-[(hexylamino)methyl]phenoxy]propyl]-1-methyltetrazol-5-amine
CID 12797468
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxamide
CID 12774367
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
3-[(3-decoxyphenyl)methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121437
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
CID 71072933
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide?
The IUPAC name of 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide (CID 70484422) is 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide.
What is the SMILES notation for 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide?
The canonical SMILES for 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide is CCCCCCCCCCNC(=O)CNCc1cccc(OCCCNc2nc(N)nn2C)c1.
What is the InChIKey of 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide?
The InChIKey is KTFCNBXBKSTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N7O2/c1-3-4-5-6-7-8-9-10-15-28-23(33)20-27-19-21-13-11-14-22(18-21)34-17-12-16-29-25-30-24(26)31-32(25)2/h11,13-14,18,27H,3-10,12,15-17,19-20H2,1-2H3,(H,28,33)(H3,26,29,30,31).
What are the key properties of 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide?
2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide has a molecular weight of 473.67 g/mol, XLogP of 3.62, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]phenyl]methylamino]-N-decylacetamide is sourced from PubChem (CID 70484422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).