N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C27H43N5O3 — CID 42927926

IUPACN-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C27H43N5O3/c1-5-22(3)32(18-25(33)28-24-11-9-10-21(2)23(24)4)27(35)20-30-16-14-29(15-17-30)19-26(34)31-12-7-6-8-13-31/h9-11,22H,5-8,12-20H2,1-4H3,(H,28,33)
InChIKeyAASQJKKJIVBMNF-UHFFFAOYSA-N
MW485.67 g/mol
LogP2.50
Rot. Bonds9

About N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 42927926) has the molecular formula C27H43N5O3 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID42927926
Molecular FormulaC27H43N5O3
Molecular Weight485.67 g/mol
Exact Mass485.34
IUPAC NameN-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C27H43N5O3/c1-5-22(3)32(18-25(33)28-24-11-9-10-21(2)23(24)4)27(35)20-30-16-14-29(15-17-30)19-26(34)31-12-7-6-8-13-31/h9-11,22H,5-8,12-20H2,1-4H3,(H,28,33)
InChIKeyAASQJKKJIVBMNF-UHFFFAOYSA-N
XLogP2.50
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51887306
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350
N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43021751
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 42927926) is N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is CCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is AASQJKKJIVBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O3/c1-5-22(3)32(18-25(33)28-24-11-9-10-21(2)23(24)4)27(35)20-30-16-14-29(15-17-30)19-26(34)31-12-7-6-8-13-31/h9-11,22H,5-8,12-20H2,1-4H3,(H,28,33).
What are the key properties of N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 485.67 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42927926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).