ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate

C16H23NO4 — CID 42702523

IUPACethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CCN(CCOC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-21-15(18)9-10-17(11-12-20-3)16(19)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3
InChIKeyDPKRXBTWSCNSMY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.04
Rot. Bonds8

About ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate

ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate (PubChem CID 42702523) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
PubChem CID42702523
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CCN(CCOC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-21-15(18)9-10-17(11-12-20-3)16(19)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3
InChIKeyDPKRXBTWSCNSMY-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
ethyl 3-[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]propanoate
CID 42702525
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
N-ethyl-4-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62248057
N-(3-amino-3-sulfanylidenepropyl)-4-iodo-N-(2-methoxyethyl)benzamide
CID 63287439
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate (CID 42702523) is ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate is CCOC(=O)CCN(CCOC)C(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate?
The InChIKey is DPKRXBTWSCNSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-21-15(18)9-10-17(11-12-20-3)16(19)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate?
ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 42702523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).