N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide

C22H34N2O3 — CID 55805598

IUPACN-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
SMILESCc1cc(OC(C)C(=O)NCCNC(=O)C2CCCCC2)ccc1C(C)C
InChIInChI=1S/C22H34N2O3/c1-15(2)20-11-10-19(14-16(20)3)27-17(4)21(25)23-12-13-24-22(26)18-8-6-5-7-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUQCNKAQWNIQFGS-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.70
Rot. Bonds8

About N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide

N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide (PubChem CID 55805598) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
PubChem CID55805598
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
SMILESCc1cc(OC(C)C(=O)NCCNC(=O)C2CCCCC2)ccc1C(C)C
InChIInChI=1S/C22H34N2O3/c1-15(2)20-11-10-19(14-16(20)3)27-17(4)21(25)23-12-13-24-22(26)18-8-6-5-7-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUQCNKAQWNIQFGS-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 51958452
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
CID 86944786
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-(oxan-4-ylsulfonyl)propanamide
CID 94798035
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide (CID 55805598) is N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide is Cc1cc(OC(C)C(=O)NCCNC(=O)C2CCCCC2)ccc1C(C)C.
What is the InChIKey of N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is UQCNKAQWNIQFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)20-11-10-19(14-16(20)3)27-17(4)21(25)23-12-13-24-22(26)18-8-6-5-7-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide?
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 55805598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).