N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide

C19H27N3O3 — CID 95773561

IUPACN-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
SMILESCCCn1ccc2cc(NC(=O)C(=O)NC[C@H](O)[C@H](C)CC)ccc21
InChIInChI=1S/C19H27N3O3/c1-4-9-22-10-8-14-11-15(6-7-16(14)22)21-19(25)18(24)20-12-17(23)13(3)5-2/h6-8,10-11,13,17,23H,4-5,9,12H2,1-3H3,(H,20,24)(H,21,25)/t13-,17+/m1/s1
InChIKeyGXUKSZUONNKBDJ-DYVFJYSZSA-N
MW345.44 g/mol
LogP2.51
Rot. Bonds7

About N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide

N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide (PubChem CID 95773561) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
PubChem CID95773561
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
SMILESCCCn1ccc2cc(NC(=O)C(=O)NC[C@H](O)[C@H](C)CC)ccc21
InChIInChI=1S/C19H27N3O3/c1-4-9-22-10-8-14-11-15(6-7-16(14)22)21-19(25)18(24)20-12-17(23)13(3)5-2/h6-8,10-11,13,17,23H,4-5,9,12H2,1-3H3,(H,20,24)(H,21,25)/t13-,17+/m1/s1
InChIKeyGXUKSZUONNKBDJ-DYVFJYSZSA-N
XLogP2.51
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
CID 111435497
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
N-(2-hydroxy-3-methylpentyl)-N'-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490500
2-(4-hydroxyphenyl)-2-methoxy-N-(1-propylindol-5-yl)acetamide
CID 102561530
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide?
The IUPAC name of N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide (CID 95773561) is N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide.
What is the SMILES notation for N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide?
The canonical SMILES for N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide is CCCn1ccc2cc(NC(=O)C(=O)NC[C@H](O)[C@H](C)CC)ccc21.
What is the InChIKey of N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide?
The InChIKey is GXUKSZUONNKBDJ-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-9-22-10-8-14-11-15(6-7-16(14)22)21-19(25)18(24)20-12-17(23)13(3)5-2/h6-8,10-11,13,17,23H,4-5,9,12H2,1-3H3,(H,20,24)(H,21,25)/t13-,17+/m1/s1.
What are the key properties of N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide?
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide has a molecular weight of 345.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide is sourced from PubChem (CID 95773561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).