1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide

C17H24F2N2O3 — CID 119338913

IUPAC1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2(N)CCCC2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-2-9-23-13-6-5-12(14(10-13)24-16(18)19)11-21-15(22)17(20)7-3-4-8-17/h5-6,10,16H,2-4,7-9,11,20H2,1H3,(H,21,22)
InChIKeyIANMJOKRKKNRBL-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.96
Rot. Bonds8

About 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119338913) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119338913
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2(N)CCCC2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-2-9-23-13-6-5-12(14(10-13)24-16(18)19)11-21-15(22)17(20)7-3-4-8-17/h5-6,10,16H,2-4,7-9,11,20H2,1H3,(H,21,22)
InChIKeyIANMJOKRKKNRBL-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119810510
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006625
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
3-[[[[[2-(difluoromethoxy)-4-propoxyphenyl]methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109451686
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119339438
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
1-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109431640

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide (CID 119338913) is 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide is CCCOc1ccc(CNC(=O)C2(N)CCCC2)c(OC(F)F)c1.
What is the InChIKey of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is IANMJOKRKKNRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-2-9-23-13-6-5-12(14(10-13)24-16(18)19)11-21-15(22)17(20)7-3-4-8-17/h5-6,10,16H,2-4,7-9,11,20H2,1H3,(H,21,22).
What are the key properties of 1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.96, 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]cyclopentane-1-carboxamide is sourced from PubChem (CID 119338913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).