2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide

C27H38N4O3 — CID 20583310

IUPAC2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCc1ccccc1NC(=O)CN1CCC(NC(=O)C(C)(C)Oc2cc(C)c(N)c(C)c2C)CC1
InChIInChI=1S/C27H38N4O3/c1-17-9-7-8-10-22(17)30-24(32)16-31-13-11-21(12-14-31)29-26(33)27(5,6)34-23-15-18(2)25(28)20(4)19(23)3/h7-10,15,21H,11-14,16,28H2,1-6H3,(H,29,33)(H,30,32)
InChIKeyWVGMSEVIGKIERC-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.88
Rot. Bonds7

About 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide

2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 20583310) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID20583310
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCc1ccccc1NC(=O)CN1CCC(NC(=O)C(C)(C)Oc2cc(C)c(N)c(C)c2C)CC1
InChIInChI=1S/C27H38N4O3/c1-17-9-7-8-10-22(17)30-24(32)16-31-13-11-21(12-14-31)29-26(33)27(5,6)34-23-15-18(2)25(28)20(4)19(23)3/h7-10,15,21H,11-14,16,28H2,1-6H3,(H,29,33)(H,30,32)
InChIKeyWVGMSEVIGKIERC-UHFFFAOYSA-N
XLogP3.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide 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

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 91038471
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 3220749
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide (CID 20583310) is 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide is Cc1ccccc1NC(=O)CN1CCC(NC(=O)C(C)(C)Oc2cc(C)c(N)c(C)c2C)CC1.
What is the InChIKey of 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is WVGMSEVIGKIERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-17-9-7-8-10-22(17)30-24(32)16-31-13-11-21(12-14-31)29-26(33)27(5,6)34-23-15-18(2)25(28)20(4)19(23)3/h7-10,15,21H,11-14,16,28H2,1-6H3,(H,29,33)(H,30,32).
What are the key properties of 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide?
2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 466.63 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3,5-trimethylphenoxy)-2-methyl-N-[1-[2-(2-methylanilino)-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 20583310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).