2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide

C24H32N4O3 — CID 175026395

IUPAC2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(N2CCNCC2)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-9-8-19(27-23(29)17(2)3)15-21(22)24(30)26-16-18-6-5-7-20(14-18)28-12-10-25-11-13-28/h5-9,14-15,17,25H,4,10-13,16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyFTIGVDKBNPKLHK-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.02
Rot. Bonds8

About 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide

2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide (PubChem CID 175026395) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide
PubChem CID175026395
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(N2CCNCC2)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-9-8-19(27-23(29)17(2)3)15-21(22)24(30)26-16-18-6-5-7-20(14-18)28-12-10-25-11-13-28/h5-9,14-15,17,25H,4,10-13,16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyFTIGVDKBNPKLHK-UHFFFAOYSA-N
XLogP3.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386
N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 146702201
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060191
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717
3-[[[5-[(2,5-diethoxy-4-methylsulfonylphenyl)methylcarbamoylamino]-2-ethoxybenzoyl]amino]methyl]benzoic acid
CID 175295698
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide (CID 175026395) is 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide is CCOc1ccc(NC(=O)C(C)C)cc1C(=O)NCc1cccc(N2CCNCC2)c1.
What is the InChIKey of 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide?
The InChIKey is FTIGVDKBNPKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-22-9-8-19(27-23(29)17(2)3)15-21(22)24(30)26-16-18-6-5-7-20(14-18)28-12-10-25-11-13-28/h5-9,14-15,17,25H,4,10-13,16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide?
2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 175026395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).