(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide

C20H30N2O3 — CID 100516413

IUPAC(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-10-12-18(25-3)13-11-16)15(2)20(24)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyMAMQQBAHCLMQLB-OAHLLOKOSA-N
MW346.47 g/mol
LogP3.27
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide

(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide (PubChem CID 100516413) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
PubChem CID100516413
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-10-12-18(25-3)13-11-16)15(2)20(24)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyMAMQQBAHCLMQLB-OAHLLOKOSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100511579
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516623
N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132610381
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide (CID 100516413) is (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide?
The InChIKey is MAMQQBAHCLMQLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-10-12-18(25-3)13-11-16)15(2)20(24)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide?
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 100516413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).