methyl 2-(2-phenylethylcarbamoyl)benzoate

C17H17NO3 — CID 23935800

IUPACmethyl 2-(2-phenylethylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyBAFYVZXJTQUHRU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-(2-phenylethylcarbamoyl)benzoate

methyl 2-(2-phenylethylcarbamoyl)benzoate (PubChem CID 23935800) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-(2-phenylethylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethylcarbamoyl)benzoate
PubChem CID23935800
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-(2-phenylethylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyBAFYVZXJTQUHRU-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
CID 19838192
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
3-[(2-methoxycarbonylbenzoyl)amino]propylphosphonic acid
CID 118138096
methyl 2-(2-phenylethyl)benzoate
CID 59701000
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
3-methoxy-2-[(2-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 118913463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethylcarbamoyl)benzoate?
The IUPAC name of methyl 2-(2-phenylethylcarbamoyl)benzoate (CID 23935800) is methyl 2-(2-phenylethylcarbamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-phenylethylcarbamoyl)benzoate?
The canonical SMILES for methyl 2-(2-phenylethylcarbamoyl)benzoate is COC(=O)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of methyl 2-(2-phenylethylcarbamoyl)benzoate?
The InChIKey is BAFYVZXJTQUHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of methyl 2-(2-phenylethylcarbamoyl)benzoate?
methyl 2-(2-phenylethylcarbamoyl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethylcarbamoyl)benzoate is sourced from PubChem (CID 23935800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).