2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide

C17H26N2O4 — CID 140972491

IUPAC2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
SMILESCOCCCCOc1cc(CN2CCOCC2)ccc1C(N)=O
InChIInChI=1S/C17H26N2O4/c1-21-8-2-3-9-23-16-12-14(4-5-15(16)17(18)20)13-19-6-10-22-11-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H2,18,20)
InChIKeyLPUBJXVAFBFDPY-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.42
Rot. Bonds9

About 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide

2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 140972491) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID140972491
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
SMILESCOCCCCOc1cc(CN2CCOCC2)ccc1C(N)=O
InChIInChI=1S/C17H26N2O4/c1-21-8-2-3-9-23-16-12-14(4-5-15(16)17(18)20)13-19-6-10-22-11-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H2,18,20)
InChIKeyLPUBJXVAFBFDPY-UHFFFAOYSA-N
XLogP1.42
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutoxy)-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 19039530
methyl 2-(4-methoxybutoxy)-4-(pyrrolidin-1-ylmethyl)benzoate
CID 54433321
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
CID 58137671
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
CID 73011711
4-(2-morpholin-4-ylethoxy)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 70241021
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide (CID 140972491) is 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide is COCCCCOc1cc(CN2CCOCC2)ccc1C(N)=O.
What is the InChIKey of 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is LPUBJXVAFBFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-21-8-2-3-9-23-16-12-14(4-5-15(16)17(18)20)13-19-6-10-22-11-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H2,18,20).
What are the key properties of 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide?
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 140972491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).