2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C20H30ClFN2O2 — CID 120789789

IUPAC2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)C1CCOCC1
InChIInChI=1S/C20H29FN2O2.ClH/c21-17-6-4-16(5-7-17)20(10-2-1-3-11-20)14-23-19(24)18(22)15-8-12-25-13-9-15;/h4-7,15,18H,1-3,8-14,22H2,(H,23,24);1H
InChIKeyMDWZDJVAOFNKPE-UHFFFAOYSA-N
MW384.92 g/mol
LogP3.32
Rot. Bonds5

About 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789789) has the molecular formula C20H30ClFN2O2 and a molecular weight of 384.92 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120789789
Molecular FormulaC20H30ClFN2O2
Molecular Weight384.92 g/mol
Exact Mass384.20
IUPAC Name2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)C1CCOCC1
InChIInChI=1S/C20H29FN2O2.ClH/c21-17-6-4-16(5-7-17)20(10-2-1-3-11-20)14-23-19(24)18(22)15-8-12-25-13-9-15;/h4-7,15,18H,1-3,8-14,22H2,(H,23,24);1H
InChIKeyMDWZDJVAOFNKPE-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290812
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791307
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
4-[1-amino-2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791308
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789789) is 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is MDWZDJVAOFNKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2.ClH/c21-17-6-4-16(5-7-17)20(10-2-1-3-11-20)14-23-19(24)18(22)15-8-12-25-13-9-15;/h4-7,15,18H,1-3,8-14,22H2,(H,23,24);1H.
What are the key properties of 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).