N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide

C22H33NO4 — CID 143485121

IUPACN-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide
SMILESCCOCO/C(=C(/C)c1cc(C)ccc1C)C1(NC=O)CCC(OC)CC1
InChIInChI=1S/C22H33NO4/c1-6-26-15-27-21(18(4)20-13-16(2)7-8-17(20)3)22(23-14-24)11-9-19(25-5)10-12-22/h7-8,13-14,19H,6,9-12,15H2,1-5H3,(H,23,24)/b21-18-
InChIKeyGFYUCQSQKMVSPF-UZYVYHOESA-N
MW375.51 g/mol
LogP4.12
Rot. Bonds9

About N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide

N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide (PubChem CID 143485121) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide.

Molecular Properties

Compound NameN-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide
PubChem CID143485121
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC NameN-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide
SMILESCCOCO/C(=C(/C)c1cc(C)ccc1C)C1(NC=O)CCC(OC)CC1
InChIInChI=1S/C22H33NO4/c1-6-26-15-27-21(18(4)20-13-16(2)7-8-17(20)3)22(23-14-24)11-9-19(25-5)10-12-22/h7-8,13-14,19H,6,9-12,15H2,1-5H3,(H,23,24)/b21-18-
InChIKeyGFYUCQSQKMVSPF-UZYVYHOESA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide?
The IUPAC name of N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide (CID 143485121) is N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide.
What is the SMILES notation for N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide?
The canonical SMILES for N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide is CCOCO/C(=C(/C)c1cc(C)ccc1C)C1(NC=O)CCC(OC)CC1.
What is the InChIKey of N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide?
The InChIKey is GFYUCQSQKMVSPF-UZYVYHOESA-N. The full InChI is InChI=1S/C22H33NO4/c1-6-26-15-27-21(18(4)20-13-16(2)7-8-17(20)3)22(23-14-24)11-9-19(25-5)10-12-22/h7-8,13-14,19H,6,9-12,15H2,1-5H3,(H,23,24)/b21-18-.
What are the key properties of N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide?
N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide has a molecular weight of 375.51 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-2-(2,5-dimethylphenyl)-1-(ethoxymethoxy)prop-1-enyl]-4-methoxycyclohexyl]formamide is sourced from PubChem (CID 143485121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).