2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide

C24H32N2O3 — CID 138554469

IUPAC2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide
SMILESCOc1ccc(C(N)c2ccc(OCC(=O)NCC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C24H32N2O3/c1-17-14-21(28-2)12-13-22(17)24(25)19-8-10-20(11-9-19)29-16-23(27)26-15-18-6-4-3-5-7-18/h8-14,18,24H,3-7,15-16,25H2,1-2H3,(H,26,27)
InChIKeyRDSWAEOSPVMIHE-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.13
Rot. Bonds8

About 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide

2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide (PubChem CID 138554469) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide
PubChem CID138554469
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide
SMILESCOc1ccc(C(N)c2ccc(OCC(=O)NCC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C24H32N2O3/c1-17-14-21(28-2)12-13-22(17)24(25)19-8-10-20(11-9-19)29-16-23(27)26-15-18-6-4-3-5-7-18/h8-14,18,24H,3-7,15-16,25H2,1-2H3,(H,26,27)
InChIKeyRDSWAEOSPVMIHE-UHFFFAOYSA-N
XLogP4.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide 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

cyclododecyl 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetate
CID 170553129
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
[2-cyclobutyl-1-(4-methoxy-2-methylphenyl)ethyl]hydrazine
CID 103170431
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide (CID 138554469) is 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide is COc1ccc(C(N)c2ccc(OCC(=O)NCC3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide?
The InChIKey is RDSWAEOSPVMIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-14-21(28-2)12-13-22(17)24(25)19-8-10-20(11-9-19)29-16-23(27)26-15-18-6-4-3-5-7-18/h8-14,18,24H,3-7,15-16,25H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide?
2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino-(4-methoxy-2-methylphenyl)methyl]phenoxy]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 138554469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).