cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide

C17H26N2O2 — CID 124862264

IUPACcis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCC[C@H](N[C@H]1CCCC[C@H]1C(=O)NC)c1ccccc1O
InChIInChI=1S/C17H26N2O2/c1-3-14(12-8-5-7-11-16(12)20)19-15-10-6-4-9-13(15)17(21)18-2/h5,7-8,11,13-15,19-20H,3-4,6,9-10H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1
InChIKeyMEGVWQYWCCYYOG-ILXRZTDVSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds5

About cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide

cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 124862264) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID124862264
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namecis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCC[C@H](N[C@H]1CCCC[C@H]1C(=O)NC)c1ccccc1O
InChIInChI=1S/C17H26N2O2/c1-3-14(12-8-5-7-11-16(12)20)19-15-10-6-4-9-13(15)17(21)18-2/h5,7-8,11,13-15,19-20H,3-4,6,9-10H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1
InChIKeyMEGVWQYWCCYYOG-ILXRZTDVSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 99855685
2-[1-(cyclopentyloxyamino)propyl]phenol
CID 83229678
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide
CID 102560947
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide (CID 124862264) is cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide is CC[C@H](N[C@H]1CCCC[C@H]1C(=O)NC)c1ccccc1O.
What is the InChIKey of cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is MEGVWQYWCCYYOG-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14(12-8-5-7-11-16(12)20)19-15-10-6-4-9-13(15)17(21)18-2/h5,7-8,11,13-15,19-20H,3-4,6,9-10H2,1-2H3,(H,18,21)/t13-,14+,15+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide?
cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 124862264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).