3,5-diamino-N-(2-cyclohexylethyl)benzamide

C15H23N3O — CID 61103497

IUPAC3,5-diamino-N-(2-cyclohexylethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h8-11H,1-7,16-17H2,(H,18,19)
InChIKeyIHGHPWAIEWQVEO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds4

About 3,5-diamino-N-(2-cyclohexylethyl)benzamide

3,5-diamino-N-(2-cyclohexylethyl)benzamide (PubChem CID 61103497) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,5-diamino-N-(2-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-cyclohexylethyl)benzamide
PubChem CID61103497
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,5-diamino-N-(2-cyclohexylethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h8-11H,1-7,16-17H2,(H,18,19)
InChIKeyIHGHPWAIEWQVEO-UHFFFAOYSA-N
XLogP2.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
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

3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-cyclohexylethyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-cyclohexylethyl)benzamide (CID 61103497) is 3,5-diamino-N-(2-cyclohexylethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-cyclohexylethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-cyclohexylethyl)benzamide is Nc1cc(N)cc(C(=O)NCCC2CCCCC2)c1.
What is the InChIKey of 3,5-diamino-N-(2-cyclohexylethyl)benzamide?
The InChIKey is IHGHPWAIEWQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h8-11H,1-7,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-(2-cyclohexylethyl)benzamide?
3,5-diamino-N-(2-cyclohexylethyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-cyclohexylethyl)benzamide is sourced from PubChem (CID 61103497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).