N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide

C22H34N2O4 — CID 19630167

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
SMILESCCCCCC(=O)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C22H34N2O4/c1-3-4-6-11-22(26)24(18-9-7-5-8-10-18)15-17-12-13-19(20(14-17)27-2)28-16-21(23)25/h12-14,18H,3-11,15-16H2,1-2H3,(H2,23,25)
InChIKeyCWOGSZVEPWVRQJ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.80
Rot. Bonds11

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide (PubChem CID 19630167) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
PubChem CID19630167
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
SMILESCCCCCC(=O)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C22H34N2O4/c1-3-4-6-11-22(26)24(18-9-7-5-8-10-18)15-17-12-13-19(20(14-17)27-2)28-16-21(23)25/h12-14,18H,3-11,15-16H2,1-2H3,(H2,23,25)
InChIKeyCWOGSZVEPWVRQJ-UHFFFAOYSA-N
XLogP3.80
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide 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-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
CID 21171013
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-4-propoxybenzamide
CID 23101370
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-(4-chlorophenyl)acetamide
CID 23100452
N-(1-benzylpiperidin-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]decanamide
CID 142128614
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
CID 4235665

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide (CID 19630167) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide is CCCCCC(=O)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide?
The InChIKey is CWOGSZVEPWVRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-3-4-6-11-22(26)24(18-9-7-5-8-10-18)15-17-12-13-19(20(14-17)27-2)28-16-21(23)25/h12-14,18H,3-11,15-16H2,1-2H3,(H2,23,25).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide has a molecular weight of 390.52 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide is sourced from PubChem (CID 19630167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).