N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide

C17H26N2O — CID 66419232

IUPACN-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCC1CCCCC1C
InChIInChI=1S/C17H26N2O/c1-13-7-3-4-8-15(13)11-18-12-16-9-5-6-10-17(16)19-14(2)20/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyYQOWCMXEYHGJNC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.56
Rot. Bonds5

About N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide

N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide (PubChem CID 66419232) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
PubChem CID66419232
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCC1CCCCC1C
InChIInChI=1S/C17H26N2O/c1-13-7-3-4-8-15(13)11-18-12-16-9-5-6-10-17(16)19-14(2)20/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyYQOWCMXEYHGJNC-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
N-[2-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103834517
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide (CID 66419232) is N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCC1CCCCC1C.
What is the InChIKey of N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is YQOWCMXEYHGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-3-4-8-15(13)11-18-12-16-9-5-6-10-17(16)19-14(2)20/h5-6,9-10,13,15,18H,3-4,7-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide?
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 66419232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).