ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate

C19H30N2O3 — CID 20683

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IUPACethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
InChIKeyRMQKPRRJSKFBRU-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.36
Rot. Bonds10

About ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate

ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate (PubChem CID 20683) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
PubChem CID20683
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nameethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
InChIKeyRMQKPRRJSKFBRU-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 313653
2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
Ethyl 2-oxo-3-phenylpiperidine-3-carboxylate
CID 305256
Ethyl (1R,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
CID 216867
3-Cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, trans-(+)-
CID 216866
Nortilidine
CID 162321
Ethyl 5-methyl-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 659775
Ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate
CID 526668
Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
CID 40745
Malonamic acid, 2-ethyl-2-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-, ethyl ester
CID 56820
Malonamic acid, 2-ethyl-N-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-, ethyl ester
CID 57008
Malonamic acid, 2-ethyl-2-phenyl-N-(3-piperidinopropyl)-, ethyl ester
CID 57009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate (CID 20683) is ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate is CCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate?
The InChIKey is RMQKPRRJSKFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22).
What are the key properties of ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate?
ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate has a molecular weight of 334.46 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate is sourced from PubChem (CID 20683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).