2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide

C15H23N3O — CID 64921700

IUPAC2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(N)cc2N)C1C
InChIInChI=1S/C15H23N3O/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(16)8-13(12)17/h5-6,8-10,14H,3-4,7,16-17H2,1-2H3,(H,18,19)
InChIKeyUEXBVKSHDNPGHK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.41
Rot. Bonds3

About 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide

2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide (PubChem CID 64921700) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
PubChem CID64921700
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(N)cc2N)C1C
InChIInChI=1S/C15H23N3O/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(16)8-13(12)17/h5-6,8-10,14H,3-4,7,16-17H2,1-2H3,(H,18,19)
InChIKeyUEXBVKSHDNPGHK-UHFFFAOYSA-N
XLogP2.41
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
CID 64922806
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495
2-amino-N-(3-ethyl-2-methylcyclopentyl)pyridine-3-carboxamide
CID 64915258
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-5-methylbenzamide
CID 64914858
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
CID 64922502

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide (CID 64921700) is 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide is CCC1CCC(NC(=O)c2ccc(N)cc2N)C1C.
What is the InChIKey of 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The InChIKey is UEXBVKSHDNPGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(16)8-13(12)17/h5-6,8-10,14H,3-4,7,16-17H2,1-2H3,(H,18,19).
What are the key properties of 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide?
2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide is sourced from PubChem (CID 64921700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).