N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide

C20H21N3O5 — CID 90535613

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H21N3O5/c1-13-7-10-16(23(27)28)11-17(13)22-19(25)18(24)21-12-20(26,15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,26H,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyVTGYNQIUIIADPU-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.26
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 90535613) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID90535613
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H21N3O5/c1-13-7-10-16(23(27)28)11-17(13)22-19(25)18(24)21-12-20(26,15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,26H,8-9,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyVTGYNQIUIIADPU-UHFFFAOYSA-N
XLogP2.26
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methyl-4-nitrobenzamide
CID 90535412
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588885
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N'-(2-methyl-5-nitrophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522852
N-[(2-methoxy-2-adamantyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90624337
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90536281
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide (CID 90535613) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is VTGYNQIUIIADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-7-10-16(23(27)28)11-17(13)22-19(25)18(24)21-12-20(26,15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,26H,8-9,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 383.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 90535613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).