N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide

C21H34N2O2 — CID 54821088

IUPACN-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
SMILESCCCCCCOc1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-3-4-5-9-16-25-20-14-12-18(13-15-20)22-17-21(24)23(2)19-10-7-6-8-11-19/h12-15,19,22H,3-11,16-17H2,1-2H3
InChIKeyZZUIFJLADMRSLI-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.85
Rot. Bonds10

About N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide

N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide (PubChem CID 54821088) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
PubChem CID54821088
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC NameN-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
SMILESCCCCCCOc1ccc(NCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-3-4-5-9-16-25-20-14-12-18(13-15-20)22-17-21(24)23(2)19-10-7-6-8-11-19/h12-15,19,22H,3-11,16-17H2,1-2H3
InChIKeyZZUIFJLADMRSLI-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N,N-diethyl-2-(4-hexoxyanilino)acetamide
CID 54820685
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxybenzamide
CID 4934068
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
2-(4-pentoxyanilino)acetic acid
CID 15310380
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-(2-cyclohexylethyl)-4-hexoxyaniline
CID 83961487
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide (CID 54821088) is N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide is CCCCCCOc1ccc(NCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide?
The InChIKey is ZZUIFJLADMRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-3-4-5-9-16-25-20-14-12-18(13-15-20)22-17-21(24)23(2)19-10-7-6-8-11-19/h12-15,19,22H,3-11,16-17H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide?
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide has a molecular weight of 346.51 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide is sourced from PubChem (CID 54821088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).