4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide

C20H24N2O3 — CID 31017501

IUPAC4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)15(2)25-18-12-10-17(11-13-18)19(21)23/h3-7,10-15H,8-9H2,1-2H3,(H2,21,23)(H,22,24)/t14-,15+/m0/s1
InChIKeyXKYQAEGZYFWTRL-LSDHHAIUSA-N
MW340.42 g/mol
LogP2.69
Rot. Bonds8

About 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide

4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide (PubChem CID 31017501) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
PubChem CID31017501
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)15(2)25-18-12-10-17(11-13-18)19(21)23/h3-7,10-15H,8-9H2,1-2H3,(H2,21,23)(H,22,24)/t14-,15+/m0/s1
InChIKeyXKYQAEGZYFWTRL-LSDHHAIUSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide with MolForge

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Related Compounds

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290998
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210474
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide?
The IUPAC name of 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide (CID 31017501) is 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide?
The canonical SMILES for 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide is C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide?
The InChIKey is XKYQAEGZYFWTRL-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)15(2)25-18-12-10-17(11-13-18)19(21)23/h3-7,10-15H,8-9H2,1-2H3,(H2,21,23)(H,22,24)/t14-,15+/m0/s1.
What are the key properties of 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide?
4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide is sourced from PubChem (CID 31017501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).