4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C24H31N3O4 — CID 54830059

IUPAC4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)31-21-12-10-19(11-13-21)25-16-23(28)27-20-8-6-18(7-9-20)24(29)26-15-22-5-4-14-30-22/h6-13,17,22,25H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKNTRCNHTWIGUSM-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.82
Rot. Bonds10

About 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54830059) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54830059
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)31-21-12-10-19(11-13-21)25-16-23(28)27-20-8-6-18(7-9-20)24(29)26-15-22-5-4-14-30-22/h6-13,17,22,25H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKNTRCNHTWIGUSM-UHFFFAOYSA-N
XLogP3.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(oxolan-2-ylmethyl)benzamide
CID 54836696
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54830059) is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KNTRCNHTWIGUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-17(2)31-21-12-10-19(11-13-21)25-16-23(28)27-20-8-6-18(7-9-20)24(29)26-15-22-5-4-14-30-22/h6-13,17,22,25H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54830059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).