ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate

C18H29NO2 — CID 103601305

IUPACethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-7-21-16(20)15(14-11-9-8-10-12-14)19-18(5,6)13-17(2,3)4/h8-12,15,19H,7,13H2,1-6H3
InChIKeyFTFCHYMRDSRMGM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.10
Rot. Bonds6

About ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate

ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate (PubChem CID 103601305) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
PubChem CID103601305
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-7-21-16(20)15(14-11-9-8-10-12-14)19-18(5,6)13-17(2,3)4/h8-12,15,19H,7,13H2,1-6H3
InChIKeyFTFCHYMRDSRMGM-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
CID 82344685
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate?
The IUPAC name of ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate (CID 103601305) is ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate is CCOC(=O)C(NC(C)(C)CC(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate?
The InChIKey is FTFCHYMRDSRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-21-16(20)15(14-11-9-8-10-12-14)19-18(5,6)13-17(2,3)4/h8-12,15,19H,7,13H2,1-6H3.
What are the key properties of ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate?
ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate has a molecular weight of 291.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate is sourced from PubChem (CID 103601305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).