(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

C19H30N4O3 — CID 9430472

IUPAC(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-5-26-17-9-7-6-8-16(17)23-12-10-22(11-13-23)15(4)18(24)21-19(25)20-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyZXNFEUQZMSIMSL-HNNXBMFYSA-N
MW362.47 g/mol
LogP1.83
Rot. Bonds6

About (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 9430472) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID9430472
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-5-26-17-9-7-6-8-16(17)23-12-10-22(11-13-23)15(4)18(24)21-19(25)20-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyZXNFEUQZMSIMSL-HNNXBMFYSA-N
XLogP1.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430308
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(2,4,6-trichlorophenyl)propanamide
CID 2537382
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430394
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (CID 9430472) is (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is CCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1.
What is the InChIKey of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is ZXNFEUQZMSIMSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-26-17-9-7-6-8-16(17)23-12-10-22(11-13-23)15(4)18(24)21-19(25)20-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H2,20,21,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 9430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).