(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide

C20H30N2O3 — CID 100511579

IUPAC(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-9-8-12-18(13-16)25-3)15(2)20(24)21-17-10-6-5-7-11-17/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyWSSZZPYRJRPKNU-OAHLLOKOSA-N
MW346.47 g/mol
LogP3.27
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide

(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide (PubChem CID 100511579) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
PubChem CID100511579
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-9-8-12-18(13-16)25-3)15(2)20(24)21-17-10-6-5-7-11-17/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyWSSZZPYRJRPKNU-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

N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 132761774
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100510531
2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612036
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 100509916
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731
N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132611302
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613940
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511425
N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132984667
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511028

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide (CID 100511579) is (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide?
The InChIKey is WSSZZPYRJRPKNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-19(23)22(14-16-9-8-12-18(13-16)25-3)15(2)20(24)21-17-10-6-5-7-11-17/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide?
(2R)-N-cyclohexyl-2-[(3-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-[(3-methoxyphenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 100511579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).