4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide

C15H23N3O2 — CID 79731100

IUPAC4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESNC1CCC(Nc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C15H23N3O2/c16-12-3-7-14(8-4-12)18-13-5-1-11(2-6-13)15(20)17-9-10-19/h1-2,5-6,12,14,18-19H,3-4,7-10,16H2,(H,17,20)
InChIKeyXRILUDYEWAJEMI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.09
Rot. Bonds5

About 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide

4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 79731100) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
PubChem CID79731100
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESNC1CCC(Nc2ccc(C(=O)NCCO)cc2)CC1
InChIInChI=1S/C15H23N3O2/c16-12-3-7-14(8-4-12)18-13-5-1-11(2-6-13)15(20)17-9-10-19/h1-2,5-6,12,14,18-19H,3-4,7-10,16H2,(H,17,20)
InChIKeyXRILUDYEWAJEMI-UHFFFAOYSA-N
XLogP1.09
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
N-(2-hydroxyethyl)-4-[(2-methylcyclopentyl)amino]benzamide
CID 65043901
4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64761864
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
4-(cyclopropylamino)benzamide
CID 103605968
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
N-(4-aminocyclohexyl)-4-(bromomethyl)benzamide
CID 102851590
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide (CID 79731100) is 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide is NC1CCC(Nc2ccc(C(=O)NCCO)cc2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is XRILUDYEWAJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-12-3-7-14(8-4-12)18-13-5-1-11(2-6-13)15(20)17-9-10-19/h1-2,5-6,12,14,18-19H,3-4,7-10,16H2,(H,17,20).
What are the key properties of 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 79731100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).