methyl 3-(2-phenylpropanoylamino)benzoate

C17H17NO3 — CID 104916705

IUPACmethyl 3-(2-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-12(13-7-4-3-5-8-13)16(19)18-15-10-6-9-14(11-15)17(20)21-2/h3-12H,1-2H3,(H,18,19)
InChIKeyUQUXJLAOHCQGIK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.22
Rot. Bonds4

About methyl 3-(2-phenylpropanoylamino)benzoate

methyl 3-(2-phenylpropanoylamino)benzoate (PubChem CID 104916705) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-(2-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-phenylpropanoylamino)benzoate
PubChem CID104916705
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-(2-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-12(13-7-4-3-5-8-13)16(19)18-15-10-6-9-14(11-15)17(20)21-2/h3-12H,1-2H3,(H,18,19)
InChIKeyUQUXJLAOHCQGIK-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
methyl 3-(2-bromopropanoylamino)benzoate
CID 52984160
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
methyl 3-(2-methylsulfonylpropanoylamino)benzoate
CID 113223100
(2R,3R)-2,3-dibenzoyloxy-4-(3-methoxycarbonylanilino)-4-oxobutanoic acid
CID 41301568
2,3-dibenzoyloxy-4-(3-methoxycarbonylanilino)-4-oxobutanoic acid
CID 3432405
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylpropanoylamino)benzoate?
The IUPAC name of methyl 3-(2-phenylpropanoylamino)benzoate (CID 104916705) is methyl 3-(2-phenylpropanoylamino)benzoate.
What is the SMILES notation for methyl 3-(2-phenylpropanoylamino)benzoate?
The canonical SMILES for methyl 3-(2-phenylpropanoylamino)benzoate is COC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-(2-phenylpropanoylamino)benzoate?
The InChIKey is UQUXJLAOHCQGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(13-7-4-3-5-8-13)16(19)18-15-10-6-9-14(11-15)17(20)21-2/h3-12H,1-2H3,(H,18,19).
What are the key properties of methyl 3-(2-phenylpropanoylamino)benzoate?
methyl 3-(2-phenylpropanoylamino)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylpropanoylamino)benzoate is sourced from PubChem (CID 104916705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).