4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide

C23H29ClN4O3 — CID 54834442

IUPAC4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C23H29ClN4O3/c1-5-6-20(29)26-17-11-12-18(24)19(13-17)27-21(30)14-25-16-9-7-15(8-10-16)22(31)28-23(2,3)4/h7-13,25H,5-6,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyKTTRIORWAJBEEY-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.66
Rot. Bonds8

About 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide

4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54834442) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54834442
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C23H29ClN4O3/c1-5-6-20(29)26-17-11-12-18(24)19(13-17)27-21(30)14-25-16-9-7-15(8-10-16)22(31)28-23(2,3)4/h7-13,25H,5-6,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyKTTRIORWAJBEEY-UHFFFAOYSA-N
XLogP4.66
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834192
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838462
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54834442) is 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is KTTRIORWAJBEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-5-6-20(29)26-17-11-12-18(24)19(13-17)27-21(30)14-25-16-9-7-15(8-10-16)22(31)28-23(2,3)4/h7-13,25H,5-6,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 444.96 g/mol, XLogP of 4.66, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54834442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).