(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide

C15H18N4O3 — CID 94795883

IUPAC(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NC1CCCC1
InChIInChI=1S/C15H18N4O3/c1-10(15(20)18-12-4-2-3-5-12)17-13-7-6-11(9-16)8-14(13)19(21)22/h6-8,10,12,17H,2-5H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyQPMSORFYZUEKDV-SNVBAGLBSA-N
MW302.33 g/mol
LogP2.33
Rot. Bonds5

About (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide

(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide (PubChem CID 94795883) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
PubChem CID94795883
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NC1CCCC1
InChIInChI=1S/C15H18N4O3/c1-10(15(20)18-12-4-2-3-5-12)17-13-7-6-11(9-16)8-14(13)19(21)22/h6-8,10,12,17H,2-5H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyQPMSORFYZUEKDV-SNVBAGLBSA-N
XLogP2.33
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

(2S)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795882
(2R)-2-(4-acetyl-2-nitroanilino)-N-cyclopentylpropanamide
CID 94796869
4-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-3-nitrobenzonitrile
CID 133285543
2-(2-chloro-4-cyanoanilino)-N-cyclopropylpropanamide
CID 113407706
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354
4-[(3-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 43428258
4-[(2-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 16960023
4-(3-ethylpentan-2-ylamino)-3-nitrobenzonitrile
CID 55260770
4-[(4-hydroxycyclohexyl)amino]-3-nitrobenzonitrile
CID 16796279
2-cyano-N-(4-cyano-2-nitrophenyl)propanamide
CID 107856935
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
methyl 4-(4-cyano-2-nitroanilino)cyclohexane-1-carboxylate
CID 135153854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide (CID 94795883) is (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide is C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide?
The InChIKey is QPMSORFYZUEKDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10(15(20)18-12-4-2-3-5-12)17-13-7-6-11(9-16)8-14(13)19(21)22/h6-8,10,12,17H,2-5H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide?
(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide has a molecular weight of 302.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 94795883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).