2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

C22H28N4O3 — CID 34068641

IUPAC2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1C
InChIInChI=1S/C22H28N4O3/c1-14(2)12-24-22(29)17-8-5-6-9-20(17)26-21(28)13-23-18-10-7-11-19(15(18)3)25-16(4)27/h5-11,14,23H,12-13H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyULONXWKUARROOB-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.39
Rot. Bonds8

About 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 34068641) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID34068641
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1C
InChIInChI=1S/C22H28N4O3/c1-14(2)12-24-22(29)17-8-5-6-9-20(17)26-21(28)13-23-18-10-7-11-19(15(18)3)25-16(4)27/h5-11,14,23H,12-13H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyULONXWKUARROOB-UHFFFAOYSA-N
XLogP3.39
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 86930913
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 34068641) is 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1C.
What is the InChIKey of 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is ULONXWKUARROOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14(2)12-24-22(29)17-8-5-6-9-20(17)26-21(28)13-23-18-10-7-11-19(15(18)3)25-16(4)27/h5-11,14,23H,12-13H2,1-4H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 34068641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).