(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide

C18H25N3O2 — CID 120940198

IUPAC(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)[C@H]3NCCO[C@@H]3C)ccc21
InChIInChI=1S/C18H25N3O2/c1-12(2)11-21-8-6-14-10-15(4-5-16(14)21)20-18(22)17-13(3)23-9-7-19-17/h4-6,8,10,12-13,17,19H,7,9,11H2,1-3H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyJDDJJGWVWHMAMW-DYVFJYSZSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds4

About (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide (PubChem CID 120940198) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
PubChem CID120940198
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)[C@H]3NCCO[C@@H]3C)ccc21
InChIInChI=1S/C18H25N3O2/c1-12(2)11-21-8-6-14-10-15(4-5-16(14)21)20-18(22)17-13(3)23-9-7-19-17/h4-6,8,10,12-13,17,19H,7,9,11H2,1-3H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyJDDJJGWVWHMAMW-DYVFJYSZSA-N
XLogP2.61
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
CID 120928646
(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 97329393
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide (CID 120940198) is (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide is CC(C)Cn1ccc2cc(NC(=O)[C@H]3NCCO[C@@H]3C)ccc21.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The InChIKey is JDDJJGWVWHMAMW-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)11-21-8-6-14-10-15(4-5-16(14)21)20-18(22)17-13(3)23-9-7-19-17/h4-6,8,10,12-13,17,19H,7,9,11H2,1-3H3,(H,20,22)/t13-,17+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120940198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).