N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide

C21H27N3O3 — CID 54826253

IUPACN-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
SMILESCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-5-27-18-8-6-7-17(13-18)22-14-19(25)23-16-11-9-15(10-12-16)20(26)24-21(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySVZQPTQIJXCFOU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.66
Rot. Bonds7

About N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide

N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide (PubChem CID 54826253) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
PubChem CID54826253
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
SMILESCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-5-27-18-8-6-7-17(13-18)22-14-19(25)23-16-11-9-15(10-12-16)20(26)24-21(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySVZQPTQIJXCFOU-UHFFFAOYSA-N
XLogP3.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 17199750
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide (CID 54826253) is N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide is CCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide?
The InChIKey is SVZQPTQIJXCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-27-18-8-6-7-17(13-18)22-14-19(25)23-16-11-9-15(10-12-16)20(26)24-21(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide?
N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.66, 7 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-(3-ethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54826253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).