propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate

C21H24FNO4 — CID 26974136

IUPACpropan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1F
InChIInChI=1S/C21H24FNO4/c1-13(2)27-20(24)12-18(15-7-5-14(3)6-8-15)23-21(25)16-9-10-19(26-4)17(22)11-16/h5-11,13,18H,12H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyBIAHIEOZOCONLW-GOSISDBHSA-N
MW373.42 g/mol
LogP3.96
Rot. Bonds7

About propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate

propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 26974136) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID26974136
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Namepropan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1F
InChIInChI=1S/C21H24FNO4/c1-13(2)27-20(24)12-18(15-7-5-14(3)6-8-15)23-21(25)16-9-10-19(26-4)17(22)11-16/h5-11,13,18H,12H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyBIAHIEOZOCONLW-GOSISDBHSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
propan-2-yl 3-(4-methylphenyl)-3-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]propanoate
CID 46637785
propan-2-yl 3-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 55440083
propan-2-yl 3-(4-methylphenyl)-3-[[3-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 167859779
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 26974136) is propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate is COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1F.
What is the InChIKey of propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is BIAHIEOZOCONLW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-13(2)27-20(24)12-18(15-7-5-14(3)6-8-15)23-21(25)16-9-10-19(26-4)17(22)11-16/h5-11,13,18H,12H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate?
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 373.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 26974136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).