4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide

C22H27N3O3 — CID 49433503

IUPAC4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCC(C)C)cc1C
InChIInChI=1S/C22H27N3O3/c1-14(2)12-24-22(28)17-9-10-19(15(3)11-17)23-13-21(27)25-20-8-6-5-7-18(20)16(4)26/h5-11,14,23H,12-13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyRMOGRUVMCOKISU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.63
Rot. Bonds8

About 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide

4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 49433503) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID49433503
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCC(C)C)cc1C
InChIInChI=1S/C22H27N3O3/c1-14(2)12-24-22(28)17-9-10-19(15(3)11-17)23-13-21(27)25-20-8-6-5-7-18(20)16(4)26/h5-11,14,23H,12-13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyRMOGRUVMCOKISU-UHFFFAOYSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731957
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
CID 95776980
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
CID 47064323
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (CID 49433503) is 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCC(C)C)cc1C.
What is the InChIKey of 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is RMOGRUVMCOKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)12-24-22(28)17-9-10-19(15(3)11-17)23-13-21(27)25-20-8-6-5-7-18(20)16(4)26/h5-11,14,23H,12-13H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 49433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).