3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide

C24H33N3O — CID 156752452

IUPAC3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCCc1cccc(-c2cccc(C(=O)N[C@@H](C)CN3CCN(CC)CC3)c2)c1
InChIInChI=1S/C24H33N3O/c1-4-20-8-6-9-21(16-20)22-10-7-11-23(17-22)24(28)25-19(3)18-27-14-12-26(5-2)13-15-27/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyWJJJKYJEYMUBOB-IBGZPJMESA-N
MW379.55 g/mol
LogP3.67
Rot. Bonds7

About 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide

3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 156752452) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID156752452
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCCc1cccc(-c2cccc(C(=O)N[C@@H](C)CN3CCN(CC)CC3)c2)c1
InChIInChI=1S/C24H33N3O/c1-4-20-8-6-9-21(16-20)22-10-7-11-23(17-22)24(28)25-19(3)18-27-14-12-26(5-2)13-15-27/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyWJJJKYJEYMUBOB-IBGZPJMESA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
CID 125172341
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 126446790
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 70821312
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
N-butan-2-yl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918442
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
N-(4,5-dimethyl-3H-pyrrol-2-yl)propanamide;3-(3-ethylphenyl)-N-[(2S)-1-(1-formylpiperidin-4-yl)propan-2-yl]benzamide;molecular hydrogen;propane
CID 156752461

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide (CID 156752452) is 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide is CCc1cccc(-c2cccc(C(=O)N[C@@H](C)CN3CCN(CC)CC3)c2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is WJJJKYJEYMUBOB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N3O/c1-4-20-8-6-9-21(16-20)22-10-7-11-23(17-22)24(28)25-19(3)18-27-14-12-26(5-2)13-15-27/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,25,28)/t19-/m0/s1.
What are the key properties of 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide?
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 379.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 156752452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).