4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide

C26H35N3O4 — CID 16612050

IUPAC4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-26(2,3)20-6-12-23(13-7-20)33-16-4-5-24(30)27-21-8-10-22(11-9-21)28-25(31)19-29-14-17-32-18-15-29/h6-13H,4-5,14-19H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyJWMWKRKILJRKMG-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.05
Rot. Bonds9

About 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide

4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide (PubChem CID 16612050) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
PubChem CID16612050
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-26(2,3)20-6-12-23(13-7-20)33-16-4-5-24(30)27-21-8-10-22(11-9-21)28-25(31)19-29-14-17-32-18-15-29/h6-13H,4-5,14-19H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyJWMWKRKILJRKMG-UHFFFAOYSA-N
XLogP4.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24620528

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide (CID 16612050) is 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The InChIKey is JWMWKRKILJRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-26(2,3)20-6-12-23(13-7-20)33-16-4-5-24(30)27-21-8-10-22(11-9-21)28-25(31)19-29-14-17-32-18-15-29/h6-13H,4-5,14-19H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide has a molecular weight of 453.58 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 16612050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).