ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate

C16H23NO4 — CID 4948251

IUPACethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)11-17-16(19)13-5-7-14(8-6-13)21-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeySEKKHYLSNAMDAJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds8

About ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate

ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate (PubChem CID 4948251) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
PubChem CID4948251
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)11-17-16(19)13-5-7-14(8-6-13)21-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeySEKKHYLSNAMDAJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
ethyl 3-methyl-4-[4-(3-methylbutoxy)phenyl]-2,4-dioxobutanoate
CID 54803726
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate (CID 4948251) is ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate is CCOC(=O)CNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
The InChIKey is SEKKHYLSNAMDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-15(18)11-17-16(19)13-5-7-14(8-6-13)21-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate?
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate is sourced from PubChem (CID 4948251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).