4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

C22H29N3O3 — CID 54830400

IUPAC4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(4)28-20-12-10-18(11-13-20)23-14-21(26)25-19-8-6-17(7-9-19)22(27)24-15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAUVFMPKALIVVPF-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.05
Rot. Bonds9

About 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54830400) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54830400
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(4)28-20-12-10-18(11-13-20)23-14-21(26)25-19-8-6-17(7-9-19)22(27)24-15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAUVFMPKALIVVPF-UHFFFAOYSA-N
XLogP4.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.05
H-Bond Donors ≤ 53
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-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
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
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
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
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-(4-butan-2-yloxyanilino)-N-ethylacetamide
CID 54830292

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (CID 54830400) is 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide is CCC(C)Oc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is AUVFMPKALIVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-16(4)28-20-12-10-18(11-13-20)23-14-21(26)25-19-8-6-17(7-9-19)22(27)24-15(2)3/h6-13,15-16,23H,5,14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.05, 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)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54830400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).