N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide

C21H27N3O3 — CID 31699354

IUPACN-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-14-6-11-18(27-5)17(12-14)23-19(25)13-22-16-9-7-15(8-10-16)20(26)24-21(2,3)4/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeySINZSKSYMBOTLU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.58
Rot. Bonds6

About N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 31699354) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID31699354
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-14-6-11-18(27-5)17(12-14)23-19(25)13-22-16-9-7-15(8-10-16)20(26)24-21(2,3)4/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeySINZSKSYMBOTLU-UHFFFAOYSA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]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-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846091
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide (CID 31699354) is N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide is COc1ccc(C)cc1NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is SINZSKSYMBOTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-6-11-18(27-5)17(12-14)23-19(25)13-22-16-9-7-15(8-10-16)20(26)24-21(2,3)4/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 31699354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).