N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide

C16H24N2O3 — CID 108880527

IUPACN-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)14-4-6-15(7-5-14)21-13(3)17-16(19)18-8-10-20-11-9-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyISLWCCPALMYEEQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide

N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide (PubChem CID 108880527) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
PubChem CID108880527
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)14-4-6-15(7-5-14)21-13(3)17-16(19)18-8-10-20-11-9-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyISLWCCPALMYEEQ-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108880576
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 108879830
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylate
CID 108880611
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 108879940
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide
CID 2831270
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide (CID 108880527) is N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide is CC(NC(=O)N1CCOCC1)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide?
The InChIKey is ISLWCCPALMYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)14-4-6-15(7-5-14)21-13(3)17-16(19)18-8-10-20-11-9-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide?
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 108880527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).