(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C17H24N4O5 — CID 7441391

IUPAC(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyWIHJBNUHPNWHTO-HNNXBMFYSA-N
MW364.40 g/mol
LogP2.13
Rot. Bonds8

About (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 7441391) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID7441391
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyWIHJBNUHPNWHTO-HNNXBMFYSA-N
XLogP2.13
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441368
1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide
CID 3230210
(2S)-2-N-(2,6-dimethoxyphenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441407
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
(2R)-1-N-phenyl-2-N-(2-phenylsulfanylethyl)pyrrolidine-1,2-dicarboxamide
CID 40602011
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
(2S)-1-N-phenyl-2-N-(2-phenylsulfanylethyl)pyrrolidine-1,2-dicarboxamide
CID 40602013
(2R)-N,N-dimethyl-1-[3-(2-nitroanilino)propanoyl]pyrrolidine-2-carboxamide
CID 95312226
1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 7441391) is (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is CCOCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is WIHJBNUHPNWHTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-2-26-12-6-10-18-16(22)15-9-5-11-20(15)17(23)19-13-7-3-4-8-14(13)21(24)25/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7441391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).