(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide

C18H22N2O3 — CID 173273647

IUPAC(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
SMILESO=CCN(NC(=O)CC1CCCC1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-12-20(19-17(22)14-16-8-4-5-9-16)18(23)11-10-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,19,22)/b11-10+
InChIKeyIPVPYAQUBCAUOE-ZHACJKMWSA-N
MW314.38 g/mol
LogP2.34
Rot. Bonds6

About (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide

(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide (PubChem CID 173273647) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
PubChem CID173273647
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
SMILESO=CCN(NC(=O)CC1CCCC1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-12-20(19-17(22)14-16-8-4-5-9-16)18(23)11-10-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,19,22)/b11-10+
InChIKeyIPVPYAQUBCAUOE-ZHACJKMWSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide
CID 54552603
(E)-N'-methylsulfonyl-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
CID 173273801
N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
CID 22112962
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
N-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]-1,1-dioxothiolan-3-yl]-3-phenylprop-2-enamide
CID 171146740
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-nitro-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54396377
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide (CID 173273647) is (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide is O=CCN(NC(=O)CC1CCCC1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide?
The InChIKey is IPVPYAQUBCAUOE-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-12-20(19-17(22)14-16-8-4-5-9-16)18(23)11-10-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,19,22)/b11-10+.
What are the key properties of (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide?
(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide has a molecular weight of 314.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 173273647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).