2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide

C15H21Cl2N3O2 — CID 87018159

IUPAC2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
SMILESO=C(COC1CCCCC1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c16-11-8-13(17)15(20-9-11)19-7-6-18-14(21)10-22-12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,21)(H,19,20)
InChIKeyNDOUFCUSZIRDGF-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.27
Rot. Bonds7

About 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide

2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 87018159) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
PubChem CID87018159
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
SMILESO=C(COC1CCCCC1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c16-11-8-13(17)15(20-9-11)19-7-6-18-14(21)10-22-12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,21)(H,19,20)
InChIKeyNDOUFCUSZIRDGF-UHFFFAOYSA-N
XLogP3.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide
CID 154769744
4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
CID 55808870
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide
CID 119853841
tert-butyl 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 60554807
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51957641
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-methylazepane-1-carboxamide
CID 71883141
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78878862
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
CID 136560466

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide (CID 87018159) is 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide is O=C(COC1CCCCC1)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is NDOUFCUSZIRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c16-11-8-13(17)15(20-9-11)19-7-6-18-14(21)10-22-12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide?
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 346.26 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 87018159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).