N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide

C18H26N2O3 — CID 108541568

IUPACN-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)14-6-8-16(9-7-14)23-13(3)17(21)19-10-11-20-18(22)15-4-5-15/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUGTSZEPYOTZCPE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds8

About N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide

N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide (PubChem CID 108541568) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
PubChem CID108541568
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)14-6-8-16(9-7-14)23-13(3)17(21)19-10-11-20-18(22)15-4-5-15/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUGTSZEPYOTZCPE-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
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

2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
5-oxo-1-propan-2-yl-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]pyrrolidine-3-carboxamide
CID 108541077
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316
2-chloroethyl N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]carbamate
CID 108572823
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 9241022
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide (CID 108541568) is N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is UGTSZEPYOTZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)14-6-8-16(9-7-14)23-13(3)17(21)19-10-11-20-18(22)15-4-5-15/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide?
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 108541568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).