cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide

C20H24N2O — CID 74246620

IUPACcis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESN[C@H]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O/c21-19-11-5-10-18(13-19)20(23)22-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12,18-19H,5,10-11,13-14,21H2,(H,22,23)/t18-,19+/m1/s1
InChIKeyHXQLQTQXIPTVIB-MOPGFXCFSA-N
MW308.43 g/mol
LogP3.49
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide

cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 74246620) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID74246620
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Namecis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
SMILESN[C@H]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O/c21-19-11-5-10-18(13-19)20(23)22-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12,18-19H,5,10-11,13-14,21H2,(H,22,23)/t18-,19+/m1/s1
InChIKeyHXQLQTQXIPTVIB-MOPGFXCFSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
N-benzylcyclobutanecarboxamide
CID 730128
3-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119781706
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide (CID 74246620) is cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide is N[C@H]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is HXQLQTQXIPTVIB-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O/c21-19-11-5-10-18(13-19)20(23)22-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12,18-19H,5,10-11,13-14,21H2,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 74246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).