(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide

C19H23NO2 — CID 807864

IUPAC(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(13-14-17-9-5-3-6-10-17)20-19(21)16(2)22-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyXGGBKANBFOGYAV-JKSUJKDBSA-N
MW297.40 g/mol
LogP3.59
Rot. Bonds7

About (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 807864) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID807864
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(13-14-17-9-5-3-6-10-17)20-19(21)16(2)22-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyXGGBKANBFOGYAV-JKSUJKDBSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
CID 31017501
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210474
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290998
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 807864) is (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is XGGBKANBFOGYAV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(13-14-17-9-5-3-6-10-17)20-19(21)16(2)22-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 807864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).