N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C21H25N3O3 — CID 10044490

IUPACN-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-22(21(25)15-18-11-5-6-12-19(18)24(26)27)20(16-23-13-7-8-14-23)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
InChIKeyNWPPBFCVTRYVPV-HXUWFJFHSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds7

About N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 10044490) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID10044490
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-22(21(25)15-18-11-5-6-12-19(18)24(26)27)20(16-23-13-7-8-14-23)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
InChIKeyNWPPBFCVTRYVPV-HXUWFJFHSA-N
XLogP3.43
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
N-Methyl-2-(3-nitro-phenyl)-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10316899
N-Methyl-N-[(S)-1-(3-nitro-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-trifluoromethyl-phenyl)-acetamide
CID 44392623
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-phenylethanone
CID 2837888
N-((1S,2S)-2,3-Dihydro-2-(1-pyrrolidinyl)-1H-inden-1-yl)-N-methyl-3-nitrobenzeneacetamide
CID 9821174
2-(3-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9974346
2,3-Dihydroindol-1-yl-(3-nitrophenyl)methanone
CID 694109
(4-Benzylpiperazin-1-yl)(3-nitrophenyl)methanone
CID 703911
(4-Methyl-3-nitrophenyl)(4-methylpiperazin-1-yl)methanone
CID 762145
Ethyl 4-[2-(2-nitrophenyl)acetyl]piperazinecarboxylate
CID 951621
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 1344401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 10044490) is N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is NWPPBFCVTRYVPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22(21(25)15-18-11-5-6-12-19(18)24(26)27)20(16-23-13-7-8-14-23)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1.
What are the key properties of N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 10044490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).