N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide

C19H25N3O3 — CID 111435497

IUPACN-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
SMILESCCCn1ccc2cc(NC(=O)C(=O)NCC3(O)CCCC3)ccc21
InChIInChI=1S/C19H25N3O3/c1-2-10-22-11-7-14-12-15(5-6-16(14)22)21-18(24)17(23)20-13-19(25)8-3-4-9-19/h5-7,11-12,25H,2-4,8-10,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyXDQTXUUSOISRDW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide

N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide (PubChem CID 111435497) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
PubChem CID111435497
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
SMILESCCCn1ccc2cc(NC(=O)C(=O)NCC3(O)CCCC3)ccc21
InChIInChI=1S/C19H25N3O3/c1-2-10-22-11-7-14-12-15(5-6-16(14)22)21-18(24)17(23)20-13-19(25)8-3-4-9-19/h5-7,11-12,25H,2-4,8-10,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyXDQTXUUSOISRDW-UHFFFAOYSA-N
XLogP2.41
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide (CID 111435497) is N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide is CCCn1ccc2cc(NC(=O)C(=O)NCC3(O)CCCC3)ccc21.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide?
The InChIKey is XDQTXUUSOISRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-10-22-11-7-14-12-15(5-6-16(14)22)21-18(24)17(23)20-13-19(25)8-3-4-9-19/h5-7,11-12,25H,2-4,8-10,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide?
N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide has a molecular weight of 343.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide is sourced from PubChem (CID 111435497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).