N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide

C21H34N2O2 — CID 82259817

IUPACN-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
SMILESCCOc1cc(CC(N)CC)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C21H34N2O2/c1-3-18(22)14-17-10-12-19(20(15-17)25-4-2)23-21(24)13-11-16-8-6-5-7-9-16/h10,12,15-16,18H,3-9,11,13-14,22H2,1-2H3,(H,23,24)
InChIKeyGRGMAGIRJNHZBI-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.66
Rot. Bonds9

About N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide

N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide (PubChem CID 82259817) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
PubChem CID82259817
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide
SMILESCCOc1cc(CC(N)CC)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C21H34N2O2/c1-3-18(22)14-17-10-12-19(20(15-17)25-4-2)23-21(24)13-11-16-8-6-5-7-9-16/h10,12,15-16,18H,3-9,11,13-14,22H2,1-2H3,(H,23,24)
InChIKeyGRGMAGIRJNHZBI-UHFFFAOYSA-N
XLogP4.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
N-[4-(2-amino-3-methylbutyl)-2-ethoxyphenyl]acetamide
CID 82260032
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
[4-(2-aminobutyl)-2-ethoxyphenyl] acetate
CID 170889343
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide (CID 82259817) is N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide is CCOc1cc(CC(N)CC)ccc1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide?
The InChIKey is GRGMAGIRJNHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-3-18(22)14-17-10-12-19(20(15-17)25-4-2)23-21(24)13-11-16-8-6-5-7-9-16/h10,12,15-16,18H,3-9,11,13-14,22H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide?
N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide has a molecular weight of 346.52 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminobutyl)-2-ethoxyphenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 82259817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).