methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate

C21H25NO4 — CID 7542209

IUPACmethyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(9-10-17-7-5-4-6-8-17)22-20(23)16(2)26-19-13-11-18(12-14-19)21(24)25-3/h4-8,11-16H,9-10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyQRNPFHWCHKSTSO-HZPDHXFCSA-N
MW355.43 g/mol
LogP3.38
Rot. Bonds8

About methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate

methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate (PubChem CID 7542209) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
PubChem CID7542209
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(9-10-17-7-5-4-6-8-17)22-20(23)16(2)26-19-13-11-18(12-14-19)21(24)25-3/h4-8,11-16H,9-10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1
InChIKeyQRNPFHWCHKSTSO-HZPDHXFCSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
CID 31017501
[(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
(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
methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]butyl]benzoate
CID 14579287
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
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-acetamidobenzoate
CID 7654238
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate (CID 7542209) is methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate is COC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate?
The InChIKey is QRNPFHWCHKSTSO-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(9-10-17-7-5-4-6-8-17)22-20(23)16(2)26-19-13-11-18(12-14-19)21(24)25-3/h4-8,11-16H,9-10H2,1-3H3,(H,22,23)/t15-,16-/m1/s1.
What are the key properties of methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate?
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate has a molecular weight of 355.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate is sourced from PubChem (CID 7542209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).