N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide

C16H20N2O3 — CID 6471547

IUPACN-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-11-21-15-5-3-14(4-6-15)16(19)17-7-8-18-9-12-20-13-10-18/h1,3-6H,7-13H2,(H,17,19)
InChIKeyTXJQZEXUIXMGPI-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.76
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide

N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide (PubChem CID 6471547) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide
PubChem CID6471547
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-11-21-15-5-3-14(4-6-15)16(19)17-7-8-18-9-12-20-13-10-18/h1,3-6H,7-13H2,(H,17,19)
InChIKeyTXJQZEXUIXMGPI-UHFFFAOYSA-N
XLogP0.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide (CID 6471547) is N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide?
The InChIKey is TXJQZEXUIXMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-11-21-15-5-3-14(4-6-15)16(19)17-7-8-18-9-12-20-13-10-18/h1,3-6H,7-13H2,(H,17,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide?
N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 6471547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).