4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride

C17H27ClN2O2 — CID 119306262

IUPAC4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2.ClH/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-21-16-8-2-1-3-9-16;/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20);1H
InChIKeyCNKSSEJHWNOTKZ-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.64
Rot. Bonds7

About 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride

4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride (PubChem CID 119306262) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
PubChem CID119306262
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2.ClH/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-21-16-8-2-1-3-9-16;/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20);1H
InChIKeyCNKSSEJHWNOTKZ-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119306238
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
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4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride (CID 119306262) is 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride is Cl.NCCCC(=O)Nc1cccc(COC2CCCCC2)c1.
What is the InChIKey of 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride?
The InChIKey is CNKSSEJHWNOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-21-16-8-2-1-3-9-16;/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20);1H.
What are the key properties of 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride?
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119306262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).