N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide

C20H30N2O3 — CID 86877953

IUPACN-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
SMILESCCCCOc1cccc(NC(=O)CCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-2-3-14-25-18-11-7-10-17(15-18)22-19(23)12-13-21-20(24)16-8-5-4-6-9-16/h7,10-11,15-16H,2-6,8-9,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyBZCYBAIHNDUEHH-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.89
Rot. Bonds9

About N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide

N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 86877953) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
PubChem CID86877953
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
SMILESCCCCOc1cccc(NC(=O)CCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-2-3-14-25-18-11-7-10-17(15-18)22-19(23)12-13-21-20(24)16-8-5-4-6-9-16/h7,10-11,15-16H,2-6,8-9,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyBZCYBAIHNDUEHH-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide 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-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-cyclohexyl-3-[[N-[3-(3-methoxypropoxy)phenyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 109460342
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
N-[3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109460119
N-cyclohexyl-3-[[N-[3-(3-methoxypropoxy)phenyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 109460341

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide (CID 86877953) is N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide is CCCCOc1cccc(NC(=O)CCNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is BZCYBAIHNDUEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-3-14-25-18-11-7-10-17(15-18)22-19(23)12-13-21-20(24)16-8-5-4-6-9-16/h7,10-11,15-16H,2-6,8-9,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide?
N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 86877953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).