N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide

C25H35N3O3 — CID 1017359

IUPACN-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C25H35N3O3/c1-25(2,3)27-24(29)18-31-22-13-8-19(16-23(22)30-4)17-26-20-9-11-21(12-10-20)28-14-6-5-7-15-28/h8-13,16,26H,5-7,14-15,17-18H2,1-4H3,(H,27,29)
InChIKeyBGLFXAIRRRFKQS-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.59
Rot. Bonds8

About N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide (PubChem CID 1017359) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide
PubChem CID1017359
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C25H35N3O3/c1-25(2,3)27-24(29)18-31-22-13-8-19(16-23(22)30-4)17-26-20-9-11-21(12-10-20)28-14-6-5-7-15-28/h8-13,16,26H,5-7,14-15,17-18H2,1-4H3,(H,27,29)
InChIKeyBGLFXAIRRRFKQS-UHFFFAOYSA-N
XLogP4.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]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

Toborinone
CID 60790
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
N-tert-butyl-2-[2-methoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 655834
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 729609
2-(3,5-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2231395
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
2-(4-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598
1-(3,4-Dimethoxybenzyl)-1-[3-(morpholin-4-yl)propyl]-3-phenylurea
CID 663600
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 1086061
2-{2-Methoxy-5-[(phenethylamino)methyl]phenoxy}acetamide
CID 2217311
2-[5-bromo-2-methoxy-4-({[3-(4-morpholinyl)propyl]amino}methyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 2962608

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide (CID 1017359) is N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide is COc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide?
The InChIKey is BGLFXAIRRRFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-25(2,3)27-24(29)18-31-22-13-8-19(16-23(22)30-4)17-26-20-9-11-21(12-10-20)28-14-6-5-7-15-28/h8-13,16,26H,5-7,14-15,17-18H2,1-4H3,(H,27,29).
What are the key properties of N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide has a molecular weight of 425.57 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-4-[(4-piperidin-1-ylanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 1017359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).