N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide

C23H29NO3 — CID 166998810

IUPACN-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C=O)CCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-17-8-5-6-9-20(17)22(27)24(16-25)15-7-10-21(26)18-11-13-19(14-12-18)23(2,3)4/h5-6,8-9,11-14,16,21,26H,7,10,15H2,1-4H3
InChIKeyVGWNIPQQMONZSE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.40
Rot. Bonds7

About N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide

N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide (PubChem CID 166998810) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide
PubChem CID166998810
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C=O)CCCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-17-8-5-6-9-20(17)22(27)24(16-25)15-7-10-21(26)18-11-13-19(14-12-18)23(2,3)4/h5-6,8-9,11-14,16,21,26H,7,10,15H2,1-4H3
InChIKeyVGWNIPQQMONZSE-UHFFFAOYSA-N
XLogP4.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide 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

N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
butane;carbanide;N-formyl-2-methyl-N-pentylbenzamide;methylbenzene;3-methylheptane;uranium(2+)
CID 176663351
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
S-[4-[4-[formyl-(2-methylbenzoyl)amino]butyl]phenyl] N,N-dimethylcarbamothioate
CID 143191201
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
CID 101386352
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
CID 42702953
2-[2-[2-[2-[formyl-(2-methylbenzoyl)amino]ethoxy]ethyl-[2-[2-[methyl-(2-methylbenzoyl)amino]ethoxy]ethyl]amino]-2-oxoethoxy]acetic acid
CID 142997843
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide (CID 166998810) is N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide is Cc1ccccc1C(=O)N(C=O)CCCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide?
The InChIKey is VGWNIPQQMONZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-8-5-6-9-20(17)22(27)24(16-25)15-7-10-21(26)18-11-13-19(14-12-18)23(2,3)4/h5-6,8-9,11-14,16,21,26H,7,10,15H2,1-4H3.
What are the key properties of N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide?
N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide is sourced from PubChem (CID 166998810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).