1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C18H27ClF2N2O3 — CID 119338922

IUPAC1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC(F)F)c1.Cl
InChIInChI=1S/C18H26F2N2O3.ClH/c1-2-10-24-14-7-6-13(15(11-14)25-17(19)20)12-22-16(23)18(21)8-4-3-5-9-18;/h6-7,11,17H,2-5,8-10,12,21H2,1H3,(H,22,23);1H
InChIKeySDNKJFBDTMZAIC-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.78
Rot. Bonds8

About 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119338922) has the molecular formula C18H27ClF2N2O3 and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119338922
Molecular FormulaC18H27ClF2N2O3
Molecular Weight392.87 g/mol
Exact Mass392.17
IUPAC Name1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC(F)F)c1.Cl
InChIInChI=1S/C18H26F2N2O3.ClH/c1-2-10-24-14-7-6-13(15(11-14)25-17(19)20)12-22-16(23)18(21)8-4-3-5-9-18;/h6-7,11,17H,2-5,8-10,12,21H2,1H3,(H,22,23);1H
InChIKeySDNKJFBDTMZAIC-UHFFFAOYSA-N
XLogP3.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119339438
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852322
3-[[[[[2-(difluoromethoxy)-4-propoxyphenyl]methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109451686
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119338922) is 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is CCCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC(F)F)c1.Cl.
What is the InChIKey of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SDNKJFBDTMZAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3.ClH/c1-2-10-24-14-7-6-13(15(11-14)25-17(19)20)12-22-16(23)18(21)8-4-3-5-9-18;/h6-7,11,17H,2-5,8-10,12,21H2,1H3,(H,22,23);1H.
What are the key properties of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 392.87 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119338922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).