N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide

C18H22N4O4 — CID 135100110

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(c1ccc(C(=O)N(CCO)Cc2ncc[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c23-10-7-22(13-16-19-5-6-20-16)18(25)15-3-1-14(2-4-15)17(24)21-8-11-26-12-9-21/h1-6,23H,7-13H2,(H,19,20)
InChIKeyLOLUCCTUWAAOKA-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide (PubChem CID 135100110) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide
PubChem CID135100110
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(c1ccc(C(=O)N(CCO)Cc2ncc[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c23-10-7-22(13-16-19-5-6-20-16)18(25)15-3-1-14(2-4-15)17(24)21-8-11-26-12-9-21/h1-6,23H,7-13H2,(H,19,20)
InChIKeyLOLUCCTUWAAOKA-UHFFFAOYSA-N
XLogP0.52
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide (CID 135100110) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide is O=C(c1ccc(C(=O)N(CCO)Cc2ncc[nH]2)cc1)N1CCOCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is LOLUCCTUWAAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-10-7-22(13-16-19-5-6-20-16)18(25)15-3-1-14(2-4-15)17(24)21-8-11-26-12-9-21/h1-6,23H,7-13H2,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 135100110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).