(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide

C18H26N2O3 — CID 98764146

IUPAC(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1
InChIInChI=1S/C18H26N2O3/c1-13-6-5-9-15(10-13)23-12-17(21)20-16(18(19)22)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,19,22)(H,20,21)/t13-,15+,16-/m1/s1
InChIKeyNJFQIQJNNHOGST-VNQPRFMTSA-N
MW318.42 g/mol
LogP1.79
Rot. Bonds7

About (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide

(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide (PubChem CID 98764146) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
PubChem CID98764146
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1
InChIInChI=1S/C18H26N2O3/c1-13-6-5-9-15(10-13)23-12-17(21)20-16(18(19)22)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,19,22)(H,20,21)/t13-,15+,16-/m1/s1
InChIKeyNJFQIQJNNHOGST-VNQPRFMTSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
(3-methylcyclohexyl) 2,4-dimethyl-5-phenylpentanoate
CID 90915141
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
CID 86948525
N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
CID 100597841
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009
2-[(2-cyclohexyloxyacetyl)amino]-2-phenylacetamide
CID 56814062
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide (CID 98764146) is (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide is C[C@@H]1CCC[C@H](OCC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1.
What is the InChIKey of (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide?
The InChIKey is NJFQIQJNNHOGST-VNQPRFMTSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-6-5-9-15(10-13)23-12-17(21)20-16(18(19)22)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,19,22)(H,20,21)/t13-,15+,16-/m1/s1.
What are the key properties of (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide?
(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 98764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).