2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide

C37H47N3O2 — CID 14670499

IUPAC2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
SMILESCCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C37H47N3O2/c1-8-11-17-33(42-32-23-20-28(36(4,5)9-2)24-30(32)37(6,7)10-3)35(41)39-29-21-18-26(19-22-29)31-25-38-34(40-31)27-15-13-12-14-16-27/h12-16,18-25,33H,8-11,17H2,1-7H3,(H,38,40)(H,39,41)
InChIKeyONGCQVSGFJLMRL-UHFFFAOYSA-N
MW565.80 g/mol
LogP9.70
Rot. Bonds13

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide (PubChem CID 14670499) has the molecular formula C37H47N3O2 and a molecular weight of 565.80 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide.

Molecular Properties

Compound Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
PubChem CID14670499
Molecular FormulaC37H47N3O2
Molecular Weight565.80 g/mol
Exact Mass565.37
IUPAC Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
SMILESCCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C37H47N3O2/c1-8-11-17-33(42-32-23-20-28(36(4,5)9-2)24-30(32)37(6,7)10-3)35(41)39-29-21-18-26(19-22-29)31-25-38-34(40-31)27-15-13-12-14-16-27/h12-16,18-25,33H,8-11,17H2,1-7H3,(H,38,40)(H,39,41)
InChIKeyONGCQVSGFJLMRL-UHFFFAOYSA-N
XLogP9.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.80
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide 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-methylpropyl N-[2-[5-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoylamino]phenyl]-1H-imidazol-2-yl]phenyl]carbamate
CID 15132010
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-fluorophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
CID 14029125
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
CID 57085661
N-[4-acetyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide
CID 59837158
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
CID 3342010
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 58676311
N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
CID 167914682
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2-(4-ethylphenoxy)-5-hydroxyphenyl]hexanamide
CID 22955856
N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoylamino]-2-hydroxyphenyl]-2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzamide
CID 20530645

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?
The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide (CID 14670499) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide.
What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?
The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide is CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?
The InChIKey is ONGCQVSGFJLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N3O2/c1-8-11-17-33(42-32-23-20-28(36(4,5)9-2)24-30(32)37(6,7)10-3)35(41)39-29-21-18-26(19-22-29)31-25-38-34(40-31)27-15-13-12-14-16-27/h12-16,18-25,33H,8-11,17H2,1-7H3,(H,38,40)(H,39,41).
What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide?
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide has a molecular weight of 565.80 g/mol, XLogP of 9.70, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 14670499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).