2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H28Cl2N2O2 — CID 120791703

IUPAC2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCCN(Cc1ccccc1Cl)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-2-3-10-21(13-15-6-4-5-7-16(15)19)18(22)17(20)14-8-11-23-12-9-14;/h4-7,14,17H,2-3,8-13,20H2,1H3;1H
InChIKeyJEJUXSBABAPSJL-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.64
Rot. Bonds7

About 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120791703) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120791703
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC Name2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCCCN(Cc1ccccc1Cl)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-2-3-10-21(13-15-6-4-5-7-16(15)19)18(22)17(20)14-8-11-23-12-9-14;/h4-7,14,17H,2-3,8-13,20H2,1H3;1H
InChIKeyJEJUXSBABAPSJL-UHFFFAOYSA-N
XLogP3.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
CID 120789290
N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119769462
2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792183
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024885
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
CID 120924213
N-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)cyclopentanecarboxamide
CID 42701433
2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797063
2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 120785560
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120791703) is 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCCCN(Cc1ccccc1Cl)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is JEJUXSBABAPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2.ClH/c1-2-3-10-21(13-15-6-4-5-7-16(15)19)18(22)17(20)14-8-11-23-12-9-14;/h4-7,14,17H,2-3,8-13,20H2,1H3;1H.
What are the key properties of 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 375.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120791703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).