N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H18N4O4 — CID 9278830

IUPACN-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O4/c19-13(10-17-9-3-6-14(17)20)16-8-7-15-11-4-1-2-5-12(11)18(21)22/h1-2,4-5,15H,3,6-10H2,(H,16,19)
InChIKeyHINBYUIXBNUKTC-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.75
Rot. Bonds7

About N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9278830) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9278830
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O4/c19-13(10-17-9-3-6-14(17)20)16-8-7-15-11-4-1-2-5-12(11)18(21)22/h1-2,4-5,15H,3,6-10H2,(H,16,19)
InChIKeyHINBYUIXBNUKTC-UHFFFAOYSA-N
XLogP0.75
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.75
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

N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9277149
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278370
N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9278484
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 51255829
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107681255
1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38885126
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 18118427
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 47049422
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 55519006
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 25162858
N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 31738081

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9278830) is N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is HINBYUIXBNUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-13(10-17-9-3-6-14(17)20)16-8-7-15-11-4-1-2-5-12(11)18(21)22/h1-2,4-5,15H,3,6-10H2,(H,16,19).
What are the key properties of N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9278830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).