4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide

C21H27N3O3 — CID 54830298

IUPAC4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-15(2)27-19-12-10-17(11-13-19)22-14-20(25)23-18-8-6-16(7-9-18)21(26)24(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,23,25)
InChIKeyPRZQJIZTCJUBBK-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds8

About 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 54830298) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID54830298
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-15(2)27-19-12-10-17(11-13-19)22-14-20(25)23-18-8-6-16(7-9-18)21(26)24(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,23,25)
InChIKeyPRZQJIZTCJUBBK-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
2-(4-butan-2-yloxyanilino)-N-ethylacetamide
CID 54830292
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54830155
N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 54830298) is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide is CCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PRZQJIZTCJUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-15(2)27-19-12-10-17(11-13-19)22-14-20(25)23-18-8-6-16(7-9-18)21(26)24(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,23,25).
What are the key properties of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).