N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide

C19H28N2O2 — CID 99634765

IUPACN-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccccc2OC2CCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-14(22)21-17-11-9-16(10-12-17)20-13-15-5-2-3-8-19(15)23-18-6-4-7-18/h2-3,5,8,16-18,20H,4,6-7,9-13H2,1H3,(H,21,22)
InChIKeyJQGRNDSPQNGLNU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide

N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide (PubChem CID 99634765) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
PubChem CID99634765
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccccc2OC2CCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-14(22)21-17-11-9-16(10-12-17)20-13-15-5-2-3-8-19(15)23-18-6-4-7-18/h2-3,5,8,16-18,20H,4,6-7,9-13H2,1H3,(H,21,22)
InChIKeyJQGRNDSPQNGLNU-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 111625898
1-cyclopentyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110989646
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide (CID 99634765) is N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCc2ccccc2OC2CCC2)CC1.
What is the InChIKey of N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide?
The InChIKey is JQGRNDSPQNGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(22)21-17-11-9-16(10-12-17)20-13-15-5-2-3-8-19(15)23-18-6-4-7-18/h2-3,5,8,16-18,20H,4,6-7,9-13H2,1H3,(H,21,22).
What are the key properties of N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide?
N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 99634765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).