4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide

C21H27N3O3 — CID 54839201

IUPAC4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-15(3)27-19-12-10-18(11-13-19)24-20(25)14-23-17-8-6-16(7-9-17)21(26)22-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyJCFBKEKKBKTUNE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.66
Rot. Bonds9

About 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide

4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 54839201) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID54839201
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-15(3)27-19-12-10-18(11-13-19)24-20(25)14-23-17-8-6-16(7-9-17)21(26)22-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyJCFBKEKKBKTUNE-UHFFFAOYSA-N
XLogP3.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
2-(4-butan-2-yloxyanilino)-N-ethylacetamide
CID 54830292
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836696
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830059
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-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide (CID 54839201) is 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is JCFBKEKKBKTUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-15(3)27-19-12-10-18(11-13-19)24-20(25)14-23-17-8-6-16(7-9-17)21(26)22-5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide?
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 54839201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).