N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide

C19H22N4O4 — CID 56774833

IUPACN-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ncc[nH]2)cc1)C1CC1
InChIInChI=1S/C19H22N4O4/c24-17-11-27-10-15(23(17)9-16-20-7-8-21-16)18(25)12-3-5-14(6-4-12)22-19(26)13-1-2-13/h3-8,13,15,18,25H,1-2,9-11H2,(H,20,21)(H,22,26)/t15-,18-/m1/s1
InChIKeyUFUHQOATEMJQHO-CRAIPNDOSA-N
MW370.41 g/mol
LogP1.22
Rot. Bonds6

About N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide

N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 56774833) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide
PubChem CID56774833
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ncc[nH]2)cc1)C1CC1
InChIInChI=1S/C19H22N4O4/c24-17-11-27-10-15(23(17)9-16-20-7-8-21-16)18(25)12-3-5-14(6-4-12)22-19(26)13-1-2-13/h3-8,13,15,18,25H,1-2,9-11H2,(H,20,21)(H,22,26)/t15-,18-/m1/s1
InChIKeyUFUHQOATEMJQHO-CRAIPNDOSA-N
XLogP1.22
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide (CID 56774833) is N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ncc[nH]2)cc1)C1CC1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UFUHQOATEMJQHO-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17-11-27-10-15(23(17)9-16-20-7-8-21-16)18(25)12-3-5-14(6-4-12)22-19(26)13-1-2-13/h3-8,13,15,18,25H,1-2,9-11H2,(H,20,21)(H,22,26)/t15-,18-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-4-(1H-imidazol-2-ylmethyl)-5-oxomorpholin-3-yl]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 56774833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).