4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide

C21H33N3O4 — CID 55848187

IUPAC4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCCCN2CCOCC2)cc1
InChIInChI=1S/C21H33N3O4/c1-2-3-14-28-19-8-6-18(7-9-19)21(26)23-17-20(25)22-10-4-5-11-24-12-15-27-16-13-24/h6-9H,2-5,10-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyLQFIPXKHDDQDBZ-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.82
Rot. Bonds12

About 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide

4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide (PubChem CID 55848187) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
PubChem CID55848187
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCCCN2CCOCC2)cc1
InChIInChI=1S/C21H33N3O4/c1-2-3-14-28-19-8-6-18(7-9-19)21(26)23-17-20(25)22-10-4-5-11-24-12-15-27-16-13-24/h6-9H,2-5,10-17H2,1H3,(H,22,25)(H,23,26)
InChIKeyLQFIPXKHDDQDBZ-UHFFFAOYSA-N
XLogP1.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 35417368
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide (CID 55848187) is 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is LQFIPXKHDDQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-2-3-14-28-19-8-6-18(7-9-19)21(26)23-17-20(25)22-10-4-5-11-24-12-15-27-16-13-24/h6-9H,2-5,10-17H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide?
4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 391.51 g/mol, XLogP of 1.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55848187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).