N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide

C16H22N2O3 — CID 39231121

IUPACN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
SMILESCOCCNC(=O)Cc1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-10-9-17-15(19)11-12-5-7-14(8-6-12)18-16(20)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyLOHLVHSOPGWKPH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds7

About N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide

N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide (PubChem CID 39231121) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
PubChem CID39231121
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
SMILESCOCCNC(=O)Cc1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-10-9-17-15(19)11-12-5-7-14(8-6-12)18-16(20)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyLOHLVHSOPGWKPH-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.73
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-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111470381
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 120891329
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide (CID 39231121) is N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide is COCCNC(=O)Cc1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide?
The InChIKey is LOHLVHSOPGWKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-10-9-17-15(19)11-12-5-7-14(8-6-12)18-16(20)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide?
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 39231121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).