N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide

C21H27N3O4 — CID 139887384

IUPACN-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)22-13-18(25)23-14-9-11-15(12-10-14)24-20(26)19-16(27-4)7-6-8-17(19)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyDANUCQCBMUYXMY-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide

N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide (PubChem CID 139887384) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
PubChem CID139887384
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)22-13-18(25)23-14-9-11-15(12-10-14)24-20(26)19-16(27-4)7-6-8-17(19)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyDANUCQCBMUYXMY-UHFFFAOYSA-N
XLogP3.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
CID 139887374
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide (CID 139887384) is N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)CNC(C)(C)C)cc1.
What is the InChIKey of N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide?
The InChIKey is DANUCQCBMUYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-21(2,3)22-13-18(25)23-14-9-11-15(12-10-14)24-20(26)19-16(27-4)7-6-8-17(19)28-5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide?
N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide has a molecular weight of 385.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 139887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).