N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

C24H29N3O2 — CID 9022461

IUPACN-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cccc(C)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-3-21-9-4-5-10-22(21)25-23(28)18-26-13-15-27(16-14-26)24(29)12-11-20-8-6-7-19(2)17-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,25,28)/b12-11+
InChIKeyDIAYXZZIEZAIPO-VAWYXSNFSA-N
MW391.52 g/mol
LogP3.35
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 9022461) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID9022461
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cccc(C)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-3-21-9-4-5-10-22(21)25-23(28)18-26-13-15-27(16-14-26)24(29)12-11-20-8-6-7-19(2)17-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,25,28)/b12-11+
InChIKeyDIAYXZZIEZAIPO-VAWYXSNFSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide
CID 9022241
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 97433144
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2-chlorophenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide
CID 9020805
N-(2,6-dimethylphenyl)-2-[4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 39761771
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide (CID 9022461) is N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is DIAYXZZIEZAIPO-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-21-9-4-5-10-22(21)25-23(28)18-26-13-15-27(16-14-26)24(29)12-11-20-8-6-7-19(2)17-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,25,28)/b12-11+.
What are the key properties of N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).