N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide

C20H20N4O3 — CID 8991067

IUPACN-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc2ccccc2[nH]1)/C(=N\O)c1ccccc1
InChIInChI=1S/C20H20N4O3/c25-19(17-13-15-9-4-5-10-16(15)23-17)21-11-6-12-22-20(26)18(24-27)14-7-2-1-3-8-14/h1-5,7-10,13,23,27H,6,11-12H2,(H,21,25)(H,22,26)/b24-18-
InChIKeyOZMGDECHWBNGOO-MOHJPFBDSA-N
MW364.41 g/mol
LogP2.28
Rot. Bonds7

About N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide

N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide (PubChem CID 8991067) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide
PubChem CID8991067
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc2ccccc2[nH]1)/C(=N\O)c1ccccc1
InChIInChI=1S/C20H20N4O3/c25-19(17-13-15-9-4-5-10-16(15)23-17)21-11-6-12-22-20(26)18(24-27)14-7-2-1-3-8-14/h1-5,7-10,13,23,27H,6,11-12H2,(H,21,25)(H,22,26)/b24-18-
InChIKeyOZMGDECHWBNGOO-MOHJPFBDSA-N
XLogP2.28
TPSA106.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
CID 6801703
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide (CID 8991067) is N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide is O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)/C(=N\O)c1ccccc1.
What is the InChIKey of N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide?
The InChIKey is OZMGDECHWBNGOO-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(17-13-15-9-4-5-10-16(15)23-17)21-11-6-12-22-20(26)18(24-27)14-7-2-1-3-8-14/h1-5,7-10,13,23,27H,6,11-12H2,(H,21,25)(H,22,26)/b24-18-.
What are the key properties of N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide?
N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 8991067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).