cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

C20H25ClN2O3 — CID 154915202

IUPACcis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@H](N)C3)cc2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-18-6-3-7-19(13-18)25-17-10-8-16(9-11-17)22-20(23)14-4-2-5-15(21)12-14;/h3,6-11,13-15H,2,4-5,12,21H2,1H3,(H,22,23);1H/t14-,15+;/m1./s1
InChIKeyBXIAQHNLIVKXST-LIOBNPLQSA-N
MW376.88 g/mol
LogP4.37
Rot. Bonds5

About cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 154915202) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID154915202
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Namecis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@H](N)C3)cc2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-18-6-3-7-19(13-18)25-17-10-8-16(9-11-17)22-20(23)14-4-2-5-15(21)12-14;/h3,6-11,13-15H,2,4-5,12,21H2,1H3,(H,22,23);1H/t14-,15+;/m1./s1
InChIKeyBXIAQHNLIVKXST-LIOBNPLQSA-N
XLogP4.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 154915202) is cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@H](N)C3)cc2)c1.Cl.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BXIAQHNLIVKXST-LIOBNPLQSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-24-18-6-3-7-19(13-18)25-17-10-8-16(9-11-17)22-20(23)14-4-2-5-15(21)12-14;/h3,6-11,13-15H,2,4-5,12,21H2,1H3,(H,22,23);1H/t14-,15+;/m1./s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154915202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).