ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate

C17H25NO2 — CID 107399619

IUPACethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CC)CC1CCC1
InChIInChI=1S/C17H25NO2/c1-3-18(13-14-9-8-10-14)16(17(19)20-4-2)15-11-6-5-7-12-15/h5-7,11-12,14,16H,3-4,8-10,13H2,1-2H3
InChIKeyCROABQLVSCGKKX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds7

About ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate

ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate (PubChem CID 107399619) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
PubChem CID107399619
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CC)CC1CCC1
InChIInChI=1S/C17H25NO2/c1-3-18(13-14-9-8-10-14)16(17(19)20-4-2)15-11-6-5-7-12-15/h5-7,11-12,14,16H,3-4,8-10,13H2,1-2H3
InChIKeyCROABQLVSCGKKX-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
CID 107397326
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
ethyl 2-[[(3aS,7aS)-1,3-dimethyl-2-oxido-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-ium-2-yl]-methylamino]-2-phenylacetate
CID 100941304
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
CID 16393
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate (CID 107399619) is ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(CC)CC1CCC1.
What is the InChIKey of ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate?
The InChIKey is CROABQLVSCGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(13-14-9-8-10-14)16(17(19)20-4-2)15-11-6-5-7-12-15/h5-7,11-12,14,16H,3-4,8-10,13H2,1-2H3.
What are the key properties of ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate?
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate has a molecular weight of 275.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate is sourced from PubChem (CID 107399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).