N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide

C17H20N4O3 — CID 95092760

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1[nH]c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2c1C
InChIInChI=1S/C17H20N4O3/c1-9-10(2)19-13-4-3-11(7-12(9)13)8-18-15(22)6-5-14-16(23)21-17(24)20-14/h3-4,7,14,19H,5-6,8H2,1-2H3,(H,18,22)(H2,20,21,23,24)/t14-/m1/s1
InChIKeyFCDBWBXSRFSGNS-CQSZACIVSA-N
MW328.37 g/mol
LogP1.39
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 95092760) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID95092760
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1[nH]c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2c1C
InChIInChI=1S/C17H20N4O3/c1-9-10(2)19-13-4-3-11(7-12(9)13)8-18-15(22)6-5-14-16(23)21-17(24)20-14/h3-4,7,14,19H,5-6,8H2,1-2H3,(H,18,22)(H2,20,21,23,24)/t14-/m1/s1
InChIKeyFCDBWBXSRFSGNS-CQSZACIVSA-N
XLogP1.39
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 95092760) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1[nH]c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is FCDBWBXSRFSGNS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9-10(2)19-13-4-3-11(7-12(9)13)8-18-15(22)6-5-14-16(23)21-17(24)20-14/h3-4,7,14,19H,5-6,8H2,1-2H3,(H,18,22)(H2,20,21,23,24)/t14-/m1/s1.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 95092760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).