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

C24H33N3O4 — CID 1017356

IUPACN-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H33N3O4/c1-24(2,3)26-23(28)17-31-21-10-5-18(15-22(21)29-4)16-25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,25H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyXATCXJJEKQBDNY-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.44
Rot. Bonds8

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

N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide (PubChem CID 1017356) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide
PubChem CID1017356
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H33N3O4/c1-24(2,3)26-23(28)17-31-21-10-5-18(15-22(21)29-4)16-25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,25H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyXATCXJJEKQBDNY-UHFFFAOYSA-N
XLogP3.44
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 60790
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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
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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
2-[5-bromo-2-methoxy-4-({[3-(4-morpholinyl)propyl]amino}methyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 2962608
2-[4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
2-(3,4-dimethylphenoxy)-N-[4-(1-pyrrolidinyl)phenyl]acetamide
CID 807549
2-[2-bromo-4-({[4-(dimethylamino)phenyl]amino}methyl)-6-ethoxyphenoxy]-N-(tert-butyl)acetamide
CID 1017323

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide (CID 1017356) is N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide is COc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide?
The InChIKey is XATCXJJEKQBDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2,3)26-23(28)17-31-21-10-5-18(15-22(21)29-4)16-25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,25H,11-14,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-4-[(4-morpholin-4-ylanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 1017356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).