2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

C15H22N2O2 — CID 106119007

IUPAC2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESNc1ccccc1CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H22N2O2/c16-14-4-2-1-3-12(14)9-15(19)17-10-11-5-7-13(18)8-6-11/h1-4,11,13,18H,5-10,16H2,(H,17,19)
InChIKeyQNFPZWDIJOEKTK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106119007) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106119007
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESNc1ccccc1CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H22N2O2/c16-14-4-2-1-3-12(14)9-15(19)17-10-11-5-7-13(18)8-6-11/h1-4,11,13,18H,5-10,16H2,(H,17,19)
InChIKeyQNFPZWDIJOEKTK-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123755
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106119007) is 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is Nc1ccccc1CC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is QNFPZWDIJOEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-4-2-1-3-12(14)9-15(19)17-10-11-5-7-13(18)8-6-11/h1-4,11,13,18H,5-10,16H2,(H,17,19).
What are the key properties of 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106119007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).