(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide

C18H24N4O3 — CID 95124296

IUPAC(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide
SMILESCOc1cccc([C@H](NC(=O)N2CCOC[C@H]2C)c2nccn2C)c1
InChIInChI=1S/C18H24N4O3/c1-13-12-25-10-9-22(13)18(23)20-16(17-19-7-8-21(17)2)14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,23)/t13-,16+/m1/s1
InChIKeyIKHJUQOQCYFNSW-CJNGLKHVSA-N
MW344.42 g/mol
LogP1.95
Rot. Bonds4

About (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide

(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide (PubChem CID 95124296) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide
PubChem CID95124296
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide
SMILESCOc1cccc([C@H](NC(=O)N2CCOC[C@H]2C)c2nccn2C)c1
InChIInChI=1S/C18H24N4O3/c1-13-12-25-10-9-22(13)18(23)20-16(17-19-7-8-21(17)2)14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,23)/t13-,16+/m1/s1
InChIKeyIKHJUQOQCYFNSW-CJNGLKHVSA-N
XLogP1.95
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
CID 53499198
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 136530810
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
CID 46971613
N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
CID 47044298

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide (CID 95124296) is (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide is COc1cccc([C@H](NC(=O)N2CCOC[C@H]2C)c2nccn2C)c1.
What is the InChIKey of (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is IKHJUQOQCYFNSW-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-12-25-10-9-22(13)18(23)20-16(17-19-7-8-21(17)2)14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,23)/t13-,16+/m1/s1.
What are the key properties of (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide?
(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 95124296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).