(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

C19H26N4O2 — CID 96995653

IUPAC(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyDYYBSBWWFDJQPW-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.45
Rot. Bonds6

About (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 96995653) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID96995653
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyDYYBSBWWFDJQPW-KRWDZBQOSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
CID 86807593
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (CID 96995653) is (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is CC[C@H]1COCCN1C(=O)NCc1nccn1CCc1ccccc1.
What is the InChIKey of (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is DYYBSBWWFDJQPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 96995653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).