N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide

C21H27N3O3 — CID 54820375

IUPACN,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)14-27-19-11-9-17(10-12-19)22-13-20(25)23-18-7-5-16(6-8-18)21(26)24(3)4/h5-12,15,22H,13-14H2,1-4H3,(H,23,25)
InChIKeyNJWFIVAVIOOLLZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.47
Rot. Bonds8

About N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide (PubChem CID 54820375) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
PubChem CID54820375
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)14-27-19-11-9-17(10-12-19)22-13-20(25)23-18-7-5-16(6-8-18)21(26)24(3)4/h5-12,15,22H,13-14H2,1-4H3,(H,23,25)
InChIKeyNJWFIVAVIOOLLZ-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194340
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide (CID 54820375) is N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide is CC(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The InChIKey is NJWFIVAVIOOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)14-27-19-11-9-17(10-12-19)22-13-20(25)23-18-7-5-16(6-8-18)21(26)24(3)4/h5-12,15,22H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54820375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).