N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide

C16H22N2O4 — CID 112994880

IUPACN-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(OCCNC(=O)CNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-21-13-5-7-14(8-6-13)22-10-9-17-15(19)11-18-16(20)12-3-2-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMQJLXBBZIDAJII-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.11
Rot. Bonds8

About N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide

N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112994880) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112994880
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(OCCNC(=O)CNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-21-13-5-7-14(8-6-13)22-10-9-17-15(19)11-18-16(20)12-3-2-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMQJLXBBZIDAJII-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031021
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide (CID 112994880) is N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide is COc1ccc(OCCNC(=O)CNC(=O)C2CCC2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is MQJLXBBZIDAJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-5-7-14(8-6-13)22-10-9-17-15(19)11-18-16(20)12-3-2-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide?
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).