(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide

C20H29NO3 — CID 97238760

IUPAC(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H]1CCC[C@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H29NO3/c1-14-8-7-11-18(12-14)24-16(3)20(23)21-15(2)19(22)13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13H2,1-3H3,(H,21,23)/t14-,15+,16+,18+/m1/s1
InChIKeyKWWSEZPVTPLRJL-CVYDXHPNSA-N
MW331.46 g/mol
LogP3.29
Rot. Bonds7

About (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide

(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide (PubChem CID 97238760) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
PubChem CID97238760
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H]1CCC[C@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H29NO3/c1-14-8-7-11-18(12-14)24-16(3)20(23)21-15(2)19(22)13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13H2,1-3H3,(H,21,23)/t14-,15+,16+,18+/m1/s1
InChIKeyKWWSEZPVTPLRJL-CVYDXHPNSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide with MolForge

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Related Compounds

(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide
CID 86960738
2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
CID 99104158
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808571
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
CID 119367577
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide (CID 97238760) is (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide is C[C@@H]1CCC[C@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide?
The InChIKey is KWWSEZPVTPLRJL-CVYDXHPNSA-N. The full InChI is InChI=1S/C20H29NO3/c1-14-8-7-11-18(12-14)24-16(3)20(23)21-15(2)19(22)13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13H2,1-3H3,(H,21,23)/t14-,15+,16+,18+/m1/s1.
What are the key properties of (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide?
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 97238760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).