cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C22H27FN2O2 — CID 133113913

IUPACcis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C22H27FN2O2/c1-27-21-8-3-2-5-18(21)15-25(14-16-9-11-19(23)12-10-16)22(26)17-6-4-7-20(24)13-17/h2-3,5,8-12,17,20H,4,6-7,13-15,24H2,1H3/t17-,20+/m0/s1
InChIKeyRGQOTZHWXVKAJR-FXAWDEMLSA-N
MW370.47 g/mol
LogP3.88
Rot. Bonds6

About cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 133113913) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID133113913
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Namecis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C22H27FN2O2/c1-27-21-8-3-2-5-18(21)15-25(14-16-9-11-19(23)12-10-16)22(26)17-6-4-7-20(24)13-17/h2-3,5,8-12,17,20H,4,6-7,13-15,24H2,1H3/t17-,20+/m0/s1
InChIKeyRGQOTZHWXVKAJR-FXAWDEMLSA-N
XLogP3.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-amino-N-[(2-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 131912242
cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
cis-(1S,3R)-3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 133109618
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119875092
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 124685973
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 154910645
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 133113913) is cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is RGQOTZHWXVKAJR-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-27-21-8-3-2-5-18(21)15-25(14-16-9-11-19(23)12-10-16)22(26)17-6-4-7-20(24)13-17/h2-3,5,8-12,17,20H,4,6-7,13-15,24H2,1H3/t17-,20+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 133113913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).