methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate

C18H21NO2 — CID 65235244

IUPACmethyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19-17(13-18(20)21-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3
InChIKeyBZBHARWRZRMBNM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds6

About methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate

methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate (PubChem CID 65235244) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
PubChem CID65235244
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19-17(13-18(20)21-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3
InChIKeyBZBHARWRZRMBNM-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate
CID 95271907
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoate
CID 65235132
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate (CID 65235244) is methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate is CCNC(CC(=O)OC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate?
The InChIKey is BZBHARWRZRMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-17(13-18(20)21-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17,19H,3,13H2,1-2H3.
What are the key properties of methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate?
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate has a molecular weight of 283.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 65235244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).