3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C22H30N2O3 — CID 109031043

IUPAC3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)19-7-5-6-8-20(19)23-14-13-21(25)24-15-16-27-18-11-9-17(26-4)10-12-18/h5-12,23H,13-16H2,1-4H3,(H,24,25)
InChIKeyGIBGMZJTPGJQDU-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.99
Rot. Bonds9

About 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031043) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031043
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)19-7-5-6-8-20(19)23-14-13-21(25)24-15-16-27-18-11-9-17(26-4)10-12-18/h5-12,23H,13-16H2,1-4H3,(H,24,25)
InChIKeyGIBGMZJTPGJQDU-UHFFFAOYSA-N
XLogP3.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]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

3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109037316
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031086
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031043) is 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCNc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is GIBGMZJTPGJQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(2,3)19-7-5-6-8-20(19)23-14-13-21(25)24-15-16-27-18-11-9-17(26-4)10-12-18/h5-12,23H,13-16H2,1-4H3,(H,24,25).
What are the key properties of 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).