N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide

C19H18N4O2 — CID 135814059

IUPACN'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13(14-7-3-2-4-8-14)22-18(24)19(25)23-21-12-15-11-20-17-10-6-5-9-16(15)17/h2-13,20H,1H3,(H,22,24)(H,23,25)/b21-12+/t13-/m1/s1
InChIKeyQRMWFFXAXKRNEX-LNOXHEFASA-N
MW334.38 g/mol
LogP2.50
Rot. Bonds4

About N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide

N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide (PubChem CID 135814059) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
PubChem CID135814059
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13(14-7-3-2-4-8-14)22-18(24)19(25)23-21-12-15-11-20-17-10-6-5-9-16(15)17/h2-13,20H,1H3,(H,22,24)(H,23,25)/b21-12+/t13-/m1/s1
InChIKeyQRMWFFXAXKRNEX-LNOXHEFASA-N
XLogP2.50
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
ethyl N-[(1R)-3-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 137127460
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide (CID 135814059) is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The InChIKey is QRMWFFXAXKRNEX-LNOXHEFASA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(14-7-3-2-4-8-14)22-18(24)19(25)23-21-12-15-11-20-17-10-6-5-9-16(15)17/h2-13,20H,1H3,(H,22,24)(H,23,25)/b21-12+/t13-/m1/s1.
What are the key properties of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide has a molecular weight of 334.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 135814059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).