[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate

C16H23NO4 — CID 142769843

IUPAC[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)N(CC)CCO)cc1
InChIInChI=1S/C16H23NO4/c1-4-13-6-8-14(9-7-13)16(20)21-12(3)15(19)17(5-2)10-11-18/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyWZCGVNIXHDRQHX-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.64
Rot. Bonds7

About [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate

[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate (PubChem CID 142769843) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate
PubChem CID142769843
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)N(CC)CCO)cc1
InChIInChI=1S/C16H23NO4/c1-4-13-6-8-14(9-7-13)16(20)21-12(3)15(19)17(5-2)10-11-18/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyWZCGVNIXHDRQHX-UHFFFAOYSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-ethylbenzoate
CID 583760
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-ethylbenzoate
CID 46810309
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
[1-(diethylamino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 60720897
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 8984006
4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 78796479
1-[1-(4-ethylbenzoyl)peroxyethoxycarbonyloxy]ethyl 4-ethylbenzenecarboperoxoate
CID 139901182
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392

Frequently Asked Questions

What is the IUPAC name of [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate?
The IUPAC name of [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate (CID 142769843) is [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate.
What is the SMILES notation for [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate?
The canonical SMILES for [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate is CCc1ccc(C(=O)OC(C)C(=O)N(CC)CCO)cc1.
What is the InChIKey of [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate?
The InChIKey is WZCGVNIXHDRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-13-6-8-14(9-7-13)16(20)21-12(3)15(19)17(5-2)10-11-18/h6-9,12,18H,4-5,10-11H2,1-3H3.
What are the key properties of [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate?
[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate has a molecular weight of 293.36 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl] 4-ethylbenzoate is sourced from PubChem (CID 142769843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).