(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide

C22H32N2O2 — CID 167276423

IUPAC(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide
SMILESCC/C(=C/C=C\CN)C(=O)NCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c1-2-18(8-6-7-15-23)22(25)24-16-17-26-21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,20-21H,2,11-17,23H2,1H3,(H,24,25)/b7-6-,18-8-
InChIKeyQLWOSTMGIMZBGP-AXEMHIPPSA-N
MW356.51 g/mol
LogP3.70
Rot. Bonds9

About (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide

(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide (PubChem CID 167276423) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide
PubChem CID167276423
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide
SMILESCC/C(=C/C=C\CN)C(=O)NCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c1-2-18(8-6-7-15-23)22(25)24-16-17-26-21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,20-21H,2,11-17,23H2,1H3,(H,24,25)/b7-6-,18-8-
InChIKeyQLWOSTMGIMZBGP-AXEMHIPPSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
2-(4-phenylcyclohexyl)oxyethyl formate
CID 175529771
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416
3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane
CID 123187601
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide (CID 167276423) is (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide is CC/C(=C/C=C\CN)C(=O)NCCOC1CCC(c2ccccc2)CC1.
What is the InChIKey of (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide?
The InChIKey is QLWOSTMGIMZBGP-AXEMHIPPSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-2-18(8-6-7-15-23)22(25)24-16-17-26-21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,20-21H,2,11-17,23H2,1H3,(H,24,25)/b7-6-,18-8-.
What are the key properties of (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide?
(2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide has a molecular weight of 356.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-amino-2-ethyl-N-[2-(4-phenylcyclohexyl)oxyethyl]hexa-2,4-dienamide is sourced from PubChem (CID 167276423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).