2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

C16H24N2O3 — CID 115413437

IUPAC2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2CO)c(N)c1
InChIInChI=1S/C16H24N2O3/c1-21-13-6-7-14(15(17)8-13)16(20)18-9-11-4-2-3-5-12(11)10-19/h6-8,11-12,19H,2-5,9-10,17H2,1H3,(H,18,20)
InChIKeyOVUJUERMZBTBLL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide

2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (PubChem CID 115413437) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
PubChem CID115413437
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2CO)c(N)c1
InChIInChI=1S/C16H24N2O3/c1-21-13-6-7-14(15(17)8-13)16(20)18-9-11-4-2-3-5-12(11)10-19/h6-8,11-12,19H,2-5,9-10,17H2,1H3,(H,18,20)
InChIKeyOVUJUERMZBTBLL-UHFFFAOYSA-N
XLogP1.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115413552
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide (CID 115413437) is 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCCC2CO)c(N)c1.
What is the InChIKey of 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
The InChIKey is OVUJUERMZBTBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-13-6-7-14(15(17)8-13)16(20)18-9-11-4-2-3-5-12(11)10-19/h6-8,11-12,19H,2-5,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide?
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 115413437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).