N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide

C16H24N2O2 — CID 106593826

IUPACN-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c1-12(19)18(2)11-13-5-3-4-6-16(13)17-14-7-9-15(20)10-8-14/h3-6,14-15,17,20H,7-11H2,1-2H3
InChIKeyLZGLQLZQQNOQCA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds4

About N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide

N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide (PubChem CID 106593826) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
PubChem CID106593826
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c1-12(19)18(2)11-13-5-3-4-6-16(13)17-14-7-9-15(20)10-8-14/h3-6,14-15,17,20H,7-11H2,1-2H3
InChIKeyLZGLQLZQQNOQCA-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47238706
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide (CID 106593826) is N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1NC1CCC(O)CC1.
What is the InChIKey of N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is LZGLQLZQQNOQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)18(2)11-13-5-3-4-6-16(13)17-14-7-9-15(20)10-8-14/h3-6,14-15,17,20H,7-11H2,1-2H3.
What are the key properties of N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide?
N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 106593826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).