2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide

C18H28N2O4 — CID 173208288

IUPAC2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CCOC)cc1CO)N1CCOCC1
InChIInChI=1S/C18H28N2O4/c1-3-7-20(19-8-11-24-12-9-19)18(22)17-5-4-15(6-10-23-2)13-16(17)14-21/h4-5,13,21H,3,6-12,14H2,1-2H3
InChIKeyXAMPHXXSDJWOTL-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.47
Rot. Bonds8

About 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide

2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide (PubChem CID 173208288) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide
PubChem CID173208288
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CCOC)cc1CO)N1CCOCC1
InChIInChI=1S/C18H28N2O4/c1-3-7-20(19-8-11-24-12-9-19)18(22)17-5-4-15(6-10-23-2)13-16(17)14-21/h4-5,13,21H,3,6-12,14H2,1-2H3
InChIKeyXAMPHXXSDJWOTL-UHFFFAOYSA-N
XLogP1.47
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide?
The IUPAC name of 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide (CID 173208288) is 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide?
The canonical SMILES for 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(CCOC)cc1CO)N1CCOCC1.
What is the InChIKey of 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide?
The InChIKey is XAMPHXXSDJWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-7-20(19-8-11-24-12-9-19)18(22)17-5-4-15(6-10-23-2)13-16(17)14-21/h4-5,13,21H,3,6-12,14H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide?
2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide has a molecular weight of 336.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylbenzamide is sourced from PubChem (CID 173208288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).