1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide

C17H25FN2O3 — CID 119324657

IUPAC1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2(N)CCCCC2)cc1OC
InChIInChI=1S/C17H25FN2O3/c1-11(20-16(21)17(19)7-5-4-6-8-17)12-9-14(22-2)15(23-3)10-13(12)18/h9-11H,4-8,19H2,1-3H3,(H,20,21)
InChIKeyCZZZBWOUMMGHCZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.68
Rot. Bonds5

About 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119324657) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID119324657
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2(N)CCCCC2)cc1OC
InChIInChI=1S/C17H25FN2O3/c1-11(20-16(21)17(19)7-5-4-6-8-17)12-9-14(22-2)15(23-3)10-13(12)18/h9-11H,4-8,19H2,1-3H3,(H,20,21)
InChIKeyCZZZBWOUMMGHCZ-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 119324657) is 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide is COc1cc(F)c(C(C)NC(=O)C2(N)CCCCC2)cc1OC.
What is the InChIKey of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CZZZBWOUMMGHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(20-16(21)17(19)7-5-4-6-8-17)12-9-14(22-2)15(23-3)10-13(12)18/h9-11H,4-8,19H2,1-3H3,(H,20,21).
What are the key properties of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119324657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).