[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate

C19H19NO3 — CID 30534008

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
SMILESO=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCC1CC1
InChIInChI=1S/C19H19NO3/c21-18(20-12-14-6-7-14)13-23-19(22)17-10-8-16(9-11-17)15-4-2-1-3-5-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,21)
InChIKeyOJSUDJOXCZJFSO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.04
Rot. Bonds6

About [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate

[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate (PubChem CID 30534008) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
PubChem CID30534008
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
SMILESO=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCC1CC1
InChIInChI=1S/C19H19NO3/c21-18(20-12-14-6-7-14)13-23-19(22)17-10-8-16(9-11-17)15-4-2-1-3-5-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,21)
InChIKeyOJSUDJOXCZJFSO-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7373516
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 11916949
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2373982
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate (CID 30534008) is [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate is O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate?
The InChIKey is OJSUDJOXCZJFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(20-12-14-6-7-14)13-23-19(22)17-10-8-16(9-11-17)15-4-2-1-3-5-15/h1-5,8-11,14H,6-7,12-13H2,(H,20,21).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate has a molecular weight of 309.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate is sourced from PubChem (CID 30534008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).