N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

C18H26N4O3 — CID 40947557

IUPACN-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-4-22(5-2)12-8-11-19-16(23)17(24)20-15-13-9-6-7-10-14(13)21(3)18(15)25/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeySBEIXBJVPHVSQM-HNNXBMFYSA-N
MW346.43 g/mol
LogP0.67
Rot. Bonds7

About N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 40947557) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID40947557
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-4-22(5-2)12-8-11-19-16(23)17(24)20-15-13-9-6-7-10-14(13)21(3)18(15)25/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeySBEIXBJVPHVSQM-HNNXBMFYSA-N
XLogP0.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 40947557) is N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CCN(CC)CCCNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is SBEIXBJVPHVSQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-22(5-2)12-8-11-19-16(23)17(24)20-15-13-9-6-7-10-14(13)21(3)18(15)25/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 346.43 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 40947557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).