N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide

C23H31NO2 — CID 139761953

IUPACN-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide
SMILESCc1ccccc1C(NC=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31NO2/c1-15-10-8-9-11-17(15)20(24-14-25)16-12-18(22(2,3)4)21(26)19(13-16)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25)
InChIKeyVBDDQELPNALAJE-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.13
Rot. Bonds4

About N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide

N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide (PubChem CID 139761953) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide
PubChem CID139761953
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide
SMILESCc1ccccc1C(NC=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31NO2/c1-15-10-8-9-11-17(15)20(24-14-25)16-12-18(22(2,3)4)21(26)19(13-16)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25)
InChIKeyVBDDQELPNALAJE-UHFFFAOYSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide 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-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
CID 139761934
2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
CID 22216123
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2,6-ditert-butyl-4-[1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]phenol
CID 88613087
methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-enoate
CID 88850846
1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797532

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide?
The IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide (CID 139761953) is N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide.
What is the SMILES notation for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide?
The canonical SMILES for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide is Cc1ccccc1C(NC=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide?
The InChIKey is VBDDQELPNALAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-15-10-8-9-11-17(15)20(24-14-25)16-12-18(22(2,3)4)21(26)19(13-16)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25).
What are the key properties of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide?
N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide has a molecular weight of 353.51 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide is sourced from PubChem (CID 139761953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).