2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide

C14H18N4O3 — CID 104713833

IUPAC2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(C#N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c1-4-17(5-2)14(19)10(3)16-12-8-11(9-15)6-7-13(12)18(20)21/h6-8,10,16H,4-5H2,1-3H3
InChIKeyFMCKATPKIBNVJO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.14
Rot. Bonds6

About 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide

2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide (PubChem CID 104713833) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
PubChem CID104713833
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(C#N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c1-4-17(5-2)14(19)10(3)16-12-8-11(9-15)6-7-13(12)18(20)21/h6-8,10,16H,4-5H2,1-3H3
InChIKeyFMCKATPKIBNVJO-UHFFFAOYSA-N
XLogP2.14
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

2-(5-cyano-2-nitroanilino)-N-propylpropanamide
CID 104713564
3-(1-hydroxybutan-2-ylamino)-4-nitrobenzonitrile
CID 104713455
3-(5-cyano-2-nitroanilino)-4-methylpentanoic acid
CID 104713077
2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
CID 122143368
3-(1-methoxypropan-2-ylamino)-4-nitrobenzonitrile
CID 104713416
2-(5-cyano-2-nitroanilino)-N-propan-2-ylacetamide
CID 104713474
3-(5-cyano-2-nitroanilino)-4,4-dimethylpentanoic acid
CID 104713080
4-nitro-3-(propylamino)benzonitrile
CID 115763494
2-(5-cyano-2-nitroanilino)pent-4-ynoic acid
CID 104713069
2-[(5-cyano-2-nitroanilino)methyl]butanoic acid
CID 104712956
2-(5-cyano-2-nitroanilino)-2-ethylbutanoic acid
CID 104713016
2-(5-cyano-2-nitroanilino)-2-methylpropanamide
CID 104713533

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide?
The IUPAC name of 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide (CID 104713833) is 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1cc(C#N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide?
The InChIKey is FMCKATPKIBNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-17(5-2)14(19)10(3)16-12-8-11(9-15)6-7-13(12)18(20)21/h6-8,10,16H,4-5H2,1-3H3.
What are the key properties of 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide?
2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide has a molecular weight of 290.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 104713833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).