4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide

C24H31N3O3 — CID 2420633

IUPAC4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-15-13-21(14-16-22)27-24(29)18-9-11-20(12-10-18)25-17(2)23(28)26-19-7-5-4-6-8-19/h9-17,19,25H,3-8H2,1-2H3,(H,26,28)(H,27,29)/t17-/m1/s1
InChIKeyAHGBLVWBUFKDMY-QGZVFWFLSA-N
MW409.53 g/mol
LogP4.59
Rot. Bonds8

About 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2420633) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID2420633
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-15-13-21(14-16-22)27-24(29)18-9-11-20(12-10-18)25-17(2)23(28)26-19-7-5-4-6-8-19/h9-17,19,25H,3-8H2,1-2H3,(H,26,28)(H,27,29)/t17-/m1/s1
InChIKeyAHGBLVWBUFKDMY-QGZVFWFLSA-N
XLogP4.59
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053171
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
CID 2975664
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide (CID 2420633) is 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is AHGBLVWBUFKDMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-30-22-15-13-21(14-16-22)27-24(29)18-9-11-20(12-10-18)25-17(2)23(28)26-19-7-5-4-6-8-19/h9-17,19,25H,3-8H2,1-2H3,(H,26,28)(H,27,29)/t17-/m1/s1.
What are the key properties of 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2420633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).