N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide

C15H22N2O3 — CID 106124081

IUPACN-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-6-7-14(18)13(8-12)15(19)17-9-10-2-4-11(16)5-3-10/h6-8,10-11,18H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyDAAQXKFFJWQVSZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide

N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 106124081) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
PubChem CID106124081
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-6-7-14(18)13(8-12)15(19)17-9-10-2-4-11(16)5-3-10/h6-8,10-11,18H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyDAAQXKFFJWQVSZ-UHFFFAOYSA-N
XLogP1.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide (CID 106124081) is N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC2CCC(N)CC2)c1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is DAAQXKFFJWQVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-12-6-7-14(18)13(8-12)15(19)17-9-10-2-4-11(16)5-3-10/h6-8,10-11,18H,2-5,9,16H2,1H3,(H,17,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide?
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106124081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).