[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate

C20H21NO3 — CID 30535045

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CC1
InChIInChI=1S/C20H21NO3/c22-18(21-13-15-11-12-15)14-24-20(23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,21,22)
InChIKeyKXGMTAAXIUWLCA-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.89
Rot. Bonds7

About [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate

[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 30535045) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID30535045
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CC1
InChIInChI=1S/C20H21NO3/c22-18(21-13-15-11-12-15)14-24-20(23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,21,22)
InChIKeyKXGMTAAXIUWLCA-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 30534008
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
CID 9229280
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749912
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55936242
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate (CID 30535045) is [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is KXGMTAAXIUWLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-18(21-13-15-11-12-15)14-24-20(23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,21,22).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 323.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 30535045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).