N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide

C18H28N2O3 — CID 119609351

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C18H28N2O3/c1-2-11-22-15-7-9-16(10-8-15)23-13-18(21)20-17-6-4-3-5-14(17)12-19/h7-10,14,17H,2-6,11-13,19H2,1H3,(H,20,21)
InChIKeyRDDLXBDGBKYMPC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds8

About N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide (PubChem CID 119609351) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
PubChem CID119609351
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C18H28N2O3/c1-2-11-22-15-7-9-16(10-8-15)23-13-18(21)20-17-6-4-3-5-14(17)12-19/h7-10,14,17H,2-6,11-13,19H2,1H3,(H,20,21)
InChIKeyRDDLXBDGBKYMPC-UHFFFAOYSA-N
XLogP2.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclopentyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 119600796
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide (CID 119609351) is N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide?
The InChIKey is RDDLXBDGBKYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-11-22-15-7-9-16(10-8-15)23-13-18(21)20-17-6-4-3-5-14(17)12-19/h7-10,14,17H,2-6,11-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 119609351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).