N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide

C23H30N4O3 — CID 60537365

IUPACN-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1
InChIInChI=1S/C23H30N4O3/c1-4-12-24-22(29)17-8-7-9-18(13-17)25-15-21(28)27-20-11-6-5-10-19(20)23(30)26-14-16(2)3/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyWDESCEJIAOTGPM-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.26
Rot. Bonds10

About N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide

N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 60537365) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID60537365
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1
InChIInChI=1S/C23H30N4O3/c1-4-12-24-22(29)17-8-7-9-18(13-17)25-15-21(28)27-20-11-6-5-10-19(20)23(30)26-14-16(2)3/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyWDESCEJIAOTGPM-UHFFFAOYSA-N
XLogP3.26
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide (CID 60537365) is N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is WDESCEJIAOTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-12-24-22(29)17-8-7-9-18(13-17)25-15-21(28)27-20-11-6-5-10-19(20)23(30)26-14-16(2)3/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28).
What are the key properties of N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.26, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 60537365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).