N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide

C18H28N2O2 — CID 119603865

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC1CCCC1CN
InChIInChI=1S/C18H28N2O2/c1-3-13(2)15-8-4-5-10-17(15)22-12-18(21)20-16-9-6-7-14(16)11-19/h4-5,8,10,13-14,16H,3,6-7,9,11-12,19H2,1-2H3,(H,20,21)
InChIKeySBEUYEQVCYFWFE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide

N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide (PubChem CID 119603865) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
PubChem CID119603865
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC1CCCC1CN
InChIInChI=1S/C18H28N2O2/c1-3-13(2)15-8-4-5-10-17(15)22-12-18(21)20-16-9-6-7-14(16)11-19/h4-5,8,10,13-14,16H,3,6-7,9,11-12,19H2,1-2H3,(H,20,21)
InChIKeySBEUYEQVCYFWFE-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119612068
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide (CID 119603865) is N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide is CCC(C)c1ccccc1OCC(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide?
The InChIKey is SBEUYEQVCYFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-13(2)15-8-4-5-10-17(15)22-12-18(21)20-16-9-6-7-14(16)11-19/h4-5,8,10,13-14,16H,3,6-7,9,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119603865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).