N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide

C19H30N2O2 — CID 54818028

IUPACN-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCCCCOc1cccc(NC(=O)CN(C)C2CCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-3-4-13-23-18-12-8-9-16(14-18)20-19(22)15-21(2)17-10-6-5-7-11-17/h8-9,12,14,17H,3-7,10-11,13,15H2,1-2H3,(H,20,22)
InChIKeyJSOUDCXZPAGOJA-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.07
Rot. Bonds8

About N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide

N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 54818028) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID54818028
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCCCCOc1cccc(NC(=O)CN(C)C2CCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-3-4-13-23-18-12-8-9-16(14-18)20-19(22)15-21(2)17-10-6-5-7-11-17/h8-9,12,14,17H,3-7,10-11,13,15H2,1-2H3,(H,20,22)
InChIKeyJSOUDCXZPAGOJA-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877953
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[cyclohexyl(methyl)amino]-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54817207
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
CID 119745749
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54809683
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide (CID 54818028) is N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide is CCCCOc1cccc(NC(=O)CN(C)C2CCCCC2)c1.
What is the InChIKey of N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is JSOUDCXZPAGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-4-13-23-18-12-8-9-16(14-18)20-19(22)15-21(2)17-10-6-5-7-11-17/h8-9,12,14,17H,3-7,10-11,13,15H2,1-2H3,(H,20,22).
What are the key properties of N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 318.46 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 54818028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).