N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide

C20H24N4O3 — CID 97099072

IUPACN-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c2ccccc21
InChIInChI=1S/C20H24N4O3/c1-2-10-24-12-15(14-7-3-4-8-16(14)24)17(25)21-11-13-6-5-9-20(13)18(26)22-19(27)23-20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H2,22,23,26,27)/t13-,20-/m0/s1
InChIKeyDLEXOLJMMGUNRA-RBZFPXEDSA-N
MW368.44 g/mol
LogP2.16
Rot. Bonds5

About N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide

N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide (PubChem CID 97099072) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide
PubChem CID97099072
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c2ccccc21
InChIInChI=1S/C20H24N4O3/c1-2-10-24-12-15(14-7-3-4-8-16(14)24)17(25)21-11-13-6-5-9-20(13)18(26)22-19(27)23-20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H2,22,23,26,27)/t13-,20-/m0/s1
InChIKeyDLEXOLJMMGUNRA-RBZFPXEDSA-N
XLogP2.16
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 128555479
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide
CID 177251668
1-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-(3-ethyl-4-methylphenyl)urea
CID 124615846
1-propyl-N-(2-sulfamoylethyl)indole-3-carboxamide
CID 51102367
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361

Frequently Asked Questions

What is the IUPAC name of N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide?
The IUPAC name of N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide (CID 97099072) is N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide.
What is the SMILES notation for N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide?
The canonical SMILES for N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide is CCCn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c2ccccc21.
What is the InChIKey of N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide?
The InChIKey is DLEXOLJMMGUNRA-RBZFPXEDSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-10-24-12-15(14-7-3-4-8-16(14)24)17(25)21-11-13-6-5-9-20(13)18(26)22-19(27)23-20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H2,22,23,26,27)/t13-,20-/m0/s1.
What are the key properties of N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide?
N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide is sourced from PubChem (CID 97099072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).