(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide

C24H38N4O2 — CID 30622887

IUPAC(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O2/c1-4-20-10-8-9-13-22(20)25-23(29)18-27-14-16-28(17-15-27)19(2)24(30)26(3)21-11-6-5-7-12-21/h8-10,13,19,21H,4-7,11-12,14-18H2,1-3H3,(H,25,29)/t19-/m0/s1
InChIKeyZQCVTDUNDQDSQA-IBGZPJMESA-N
MW414.59 g/mol
LogP2.98
Rot. Bonds7

About (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide

(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 30622887) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID30622887
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O2/c1-4-20-10-8-9-13-22(20)25-23(29)18-27-14-16-28(17-15-27)19(2)24(30)26(3)21-11-6-5-7-12-21/h8-10,13,19,21H,4-7,11-12,14-18H2,1-3H3,(H,25,29)/t19-/m0/s1
InChIKeyZQCVTDUNDQDSQA-IBGZPJMESA-N
XLogP2.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
(2S)-N-cyclohexyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30620685
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30621428
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
CID 29162340
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 11943830
N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide
CID 124880513
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 78825795
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55432044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide (CID 30622887) is (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is ZQCVTDUNDQDSQA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H38N4O2/c1-4-20-10-8-9-13-22(20)25-23(29)18-27-14-16-28(17-15-27)19(2)24(30)26(3)21-11-6-5-7-12-21/h8-10,13,19,21H,4-7,11-12,14-18H2,1-3H3,(H,25,29)/t19-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 414.59 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 30622887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).