2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide

Name: 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₀N₂O₂ — CID 103950315

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide

SMILESNc1ccccc1C(=O)NCC1CCCC(O)C1

InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18)

InChIKeyCDZOHKKPALXMBK-UHFFFAOYSA-N

MW248.33 g/mol

LogP1.55

Rot. Bonds3

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103950315) has the molecular formula C₁₄H₂₀N₂O₂ and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name	2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID	103950315
Molecular Formula	C₁₄H₂₀N₂O₂
Molecular Weight	248.33 g/mol
Exact Mass	248.15
IUPAC Name	2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILES	Nc1ccccc1C(=O)NCC1CCCC(O)C1
InChI	InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18)
InChIKey	CDZOHKKPALXMBK-UHFFFAOYSA-N
XLogP	1.55
TPSA	75.35 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?

The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 103950315) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide.

What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?

The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide is Nc1ccccc1C(=O)NCC1CCCC(O)C1.

What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?

The InChIKey is CDZOHKKPALXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18).

What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103950315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103950315 — identifiers, structure, computed properties (public domain)

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