N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide

C17H26N2O2 — CID 119611347

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-13(2)16(9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h7-9,14-15H,3-6,10-11,18H2,1-2H3,(H,19,20)
InChIKeyPEEQFGLVUMMXQK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 119611347) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID119611347
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-13(2)16(9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h7-9,14-15H,3-6,10-11,18H2,1-2H3,(H,19,20)
InChIKeyPEEQFGLVUMMXQK-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide (CID 119611347) is N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is PEEQFGLVUMMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-8-13(2)16(9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h7-9,14-15H,3-6,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 119611347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).