N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide

C21H25N3O2 — CID 55511588

IUPACN-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCc1ccc(NC(=O)C(C)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-15-4-8-18(9-5-15)23-20(25)14(2)22-17-10-6-16(7-11-17)21(26)24-19-12-13-19/h4-11,14,19,22H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHXLVECWMIOBDHP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.58
Rot. Bonds7

About N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide

N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 55511588) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID55511588
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCc1ccc(NC(=O)C(C)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-15-4-8-18(9-5-15)23-20(25)14(2)22-17-10-6-16(7-11-17)21(26)24-19-12-13-19/h4-11,14,19,22H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHXLVECWMIOBDHP-UHFFFAOYSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2420633
N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511519
4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511597
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452
N-cyclohexyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 28587696

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide (CID 55511588) is N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide is CCc1ccc(NC(=O)C(C)Nc2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is HXLVECWMIOBDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-15-4-8-18(9-5-15)23-20(25)14(2)22-17-10-6-16(7-11-17)21(26)24-19-12-13-19/h4-11,14,19,22H,3,12-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide?
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 55511588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).