methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate

C16H23NO3 — CID 61008740

IUPACmethyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-5-17(11-10-15(18)20-4)16(19)14-8-6-13(7-9-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeySBWASMYKNKRUIL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.84
Rot. Bonds6

About methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate

methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate (PubChem CID 61008740) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
PubChem CID61008740
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-5-17(11-10-15(18)20-4)16(19)14-8-6-13(7-9-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeySBWASMYKNKRUIL-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
CID 61011169
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 3-[(3-chloro-5-methylbenzoyl)-ethylamino]propanoate
CID 80973104
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
methyl 3-[(3-chloro-4-nitrobenzoyl)-ethylamino]propanoate
CID 103873122
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate (CID 61008740) is methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate?
The InChIKey is SBWASMYKNKRUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-17(11-10-15(18)20-4)16(19)14-8-6-13(7-9-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate?
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 61008740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).