N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide

C14H20N2O3 — CID 107726341

IUPACN-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
SMILESNCC1(NC(=O)c2ccc(O)cc2O)CCCCC1
InChIInChI=1S/C14H20N2O3/c15-9-14(6-2-1-3-7-14)16-13(19)11-5-4-10(17)8-12(11)18/h4-5,8,17-18H,1-3,6-7,9,15H2,(H,16,19)
InChIKeyLIUFLZNTWOZBGS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide

N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide (PubChem CID 107726341) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
PubChem CID107726341
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
SMILESNCC1(NC(=O)c2ccc(O)cc2O)CCCCC1
InChIInChI=1S/C14H20N2O3/c15-9-14(6-2-1-3-7-14)16-13(19)11-5-4-10(17)8-12(11)18/h4-5,8,17-18H,1-3,6-7,9,15H2,(H,16,19)
InChIKeyLIUFLZNTWOZBGS-UHFFFAOYSA-N
XLogP1.49
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726425
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide (CID 107726341) is N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide is NCC1(NC(=O)c2ccc(O)cc2O)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide?
The InChIKey is LIUFLZNTWOZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-9-14(6-2-1-3-7-14)16-13(19)11-5-4-10(17)8-12(11)18/h4-5,8,17-18H,1-3,6-7,9,15H2,(H,16,19).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide?
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 107726341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).