N-cyclohexyl-2-(3-ethynylanilino)propanamide

C17H22N2O — CID 43114037

IUPACN-cyclohexyl-2-(3-ethynylanilino)propanamide
SMILESC#Cc1cccc(NC(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H22N2O/c1-3-14-8-7-11-16(12-14)18-13(2)17(20)19-15-9-5-4-6-10-15/h1,7-8,11-13,15,18H,4-6,9-10H2,2H3,(H,19,20)
InChIKeyOZZLOKFSVOFSQB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.92
Rot. Bonds4

About N-cyclohexyl-2-(3-ethynylanilino)propanamide

N-cyclohexyl-2-(3-ethynylanilino)propanamide (PubChem CID 43114037) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-ethynylanilino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-ethynylanilino)propanamide
PubChem CID43114037
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-cyclohexyl-2-(3-ethynylanilino)propanamide
SMILESC#Cc1cccc(NC(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H22N2O/c1-3-14-8-7-11-16(12-14)18-13(2)17(20)19-15-9-5-4-6-10-15/h1,7-8,11-13,15,18H,4-6,9-10H2,2H3,(H,19,20)
InChIKeyOZZLOKFSVOFSQB-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
2-(3-ethynylanilino)-N,N-dimethylpropanamide
CID 43116515
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
CID 43085917
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-ethynylanilino)propanamide?
The IUPAC name of N-cyclohexyl-2-(3-ethynylanilino)propanamide (CID 43114037) is N-cyclohexyl-2-(3-ethynylanilino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(3-ethynylanilino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(3-ethynylanilino)propanamide is C#Cc1cccc(NC(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-(3-ethynylanilino)propanamide?
The InChIKey is OZZLOKFSVOFSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-14-8-7-11-16(12-14)18-13(2)17(20)19-15-9-5-4-6-10-15/h1,7-8,11-13,15,18H,4-6,9-10H2,2H3,(H,19,20).
What are the key properties of N-cyclohexyl-2-(3-ethynylanilino)propanamide?
N-cyclohexyl-2-(3-ethynylanilino)propanamide has a molecular weight of 270.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-ethynylanilino)propanamide is sourced from PubChem (CID 43114037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).