N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide

C13H18N4O3 — CID 80792309

IUPACN-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
SMILESCCNc1cccc(NCC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c1-2-14-10-4-3-5-11(13(10)17(19)20)15-8-12(18)16-9-6-7-9/h3-5,9,14-15H,2,6-8H2,1H3,(H,16,18)
InChIKeyPZFFKSCHFAVDCP-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.72
Rot. Bonds7

About N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide

N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide (PubChem CID 80792309) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
PubChem CID80792309
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
SMILESCCNc1cccc(NCC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c1-2-14-10-4-3-5-11(13(10)17(19)20)15-8-12(18)16-9-6-7-9/h3-5,9,14-15H,2,6-8H2,1H3,(H,16,18)
InChIKeyPZFFKSCHFAVDCP-UHFFFAOYSA-N
XLogP1.72
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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CID 115542191
N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
CID 80789372
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
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1-N-ethyl-3-N-(4-ethylcyclohexyl)-2-nitrobenzene-1,3-diamine
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3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
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3-N-(cyclopentylmethyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80784463
3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide
CID 104836022
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724
3-[[3-(ethylamino)-2-nitroanilino]methyl]cyclopentan-1-ol
CID 106137977
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
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2-(3-cyano-2-nitroanilino)-N-ethylacetamide
CID 104717679

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide (CID 80792309) is N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide is CCNc1cccc(NCC(=O)NC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide?
The InChIKey is PZFFKSCHFAVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-14-10-4-3-5-11(13(10)17(19)20)15-8-12(18)16-9-6-7-9/h3-5,9,14-15H,2,6-8H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide?
N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide has a molecular weight of 278.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide is sourced from PubChem (CID 80792309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).