(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide

C23H26N2O3 — CID 34056983

IUPAC(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide
SMILESO=C(/C=C/c1cc2ccccc2o1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26N2O3/c26-21(6-5-19-10-18-3-1-2-4-20(18)28-19)24-25-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,15-17H,7-9,11-14H2,(H,24,26)(H,25,27)/b6-5+
InChIKeyKDGSGHZVCDNOIP-AATRIKPKSA-N
MW378.47 g/mol
LogP4.20
Rot. Bonds4

About (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide

(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide (PubChem CID 34056983) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide
PubChem CID34056983
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide
SMILESO=C(/C=C/c1cc2ccccc2o1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26N2O3/c26-21(6-5-19-10-18-3-1-2-4-20(18)28-19)24-25-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,15-17H,7-9,11-14H2,(H,24,26)(H,25,27)/b6-5+
InChIKeyKDGSGHZVCDNOIP-AATRIKPKSA-N
XLogP4.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-[2-(1-adamantyl)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 7917923
N'-[2-(1-adamantyl)acetyl]-3-(3-chloro-4-fluorophenyl)prop-2-enehydrazide
CID 85019516
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
CID 5132781
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3424973
N'-[2-(1-adamantyl)acetyl]-9H-xanthene-9-carbohydrazide
CID 7917901
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629
N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
CID 18107729
(E)-3-(1-benzofuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 35802231
N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
CID 26177274
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764
1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methylphenyl)thiourea
CID 8017325

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide (CID 34056983) is (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide is O=C(/C=C/c1cc2ccccc2o1)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide?
The InChIKey is KDGSGHZVCDNOIP-AATRIKPKSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-21(6-5-19-10-18-3-1-2-4-20(18)28-19)24-25-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,15-17H,7-9,11-14H2,(H,24,26)(H,25,27)/b6-5+.
What are the key properties of (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide?
(E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide has a molecular weight of 378.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(1-adamantyl)acetyl]-3-(1-benzofuran-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 34056983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).