N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride

C18H29ClN2O2 — CID 119567384

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCC(C)c1ccccc1OCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-14(2)15-8-4-5-9-16(15)22-12-17(21)20-18(13-19)10-6-7-11-18;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H
InChIKeyLQHLZJCJHDRQRY-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.39
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 119567384) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID119567384
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
SMILESCCC(C)c1ccccc1OCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-14(2)15-8-4-5-9-16(15)22-12-17(21)20-18(13-19)10-6-7-11-18;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H
InChIKeyLQHLZJCJHDRQRY-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119565633
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
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119603865
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
CID 94448403
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride (CID 119567384) is N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride is CCC(C)c1ccccc1OCC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is LQHLZJCJHDRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-14(2)15-8-4-5-9-16(15)22-12-17(21)20-18(13-19)10-6-7-11-18;/h4-5,8-9,14H,3,6-7,10-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119567384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).