N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C18H22N4O4 — CID 8973112

IUPACN-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1cccn1C
InChIInChI=1S/C18H22N4O4/c1-20-9-3-5-15(20)16-6-4-10-21(16)12-18(23)19-14-11-13(22(24)25)7-8-17(14)26-2/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyMNEMYZKPKNTNEA-INIZCTEOSA-N
MW358.40 g/mol
LogP2.72
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 8973112) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID8973112
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1cccn1C
InChIInChI=1S/C18H22N4O4/c1-20-9-3-5-15(20)16-6-4-10-21(16)12-18(23)19-14-11-13(22(24)25)7-8-17(14)26-2/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyMNEMYZKPKNTNEA-INIZCTEOSA-N
XLogP2.72
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8835179
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8832602
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976470
ethyl (3S)-1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532970
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9002166
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 8973112) is N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1cccn1C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is MNEMYZKPKNTNEA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-9-3-5-15(20)16-6-4-10-21(16)12-18(23)19-14-11-13(22(24)25)7-8-17(14)26-2/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8973112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).