4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide

C27H30N2O3 — CID 17235023

IUPAC4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-18-7-6-8-24(17-18)32-19(2)25(30)28-22-13-15-23(16-14-22)29-26(31)20-9-11-21(12-10-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31)
InChIKeyRFBCSEABVNITBU-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.95
Rot. Bonds6

About 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide

4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 17235023) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID17235023
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-18-7-6-8-24(17-18)32-19(2)25(30)28-22-13-15-23(16-14-22)29-26(31)20-9-11-21(12-10-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31)
InChIKeyRFBCSEABVNITBU-UHFFFAOYSA-N
XLogP5.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide 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-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide (CID 17235023) is 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide is Cc1cccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is RFBCSEABVNITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-7-6-8-24(17-18)32-19(2)25(30)28-22-13-15-23(16-14-22)29-26(31)20-9-11-21(12-10-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide?
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).