ethane;ethyl 4-[methyl(propanoyl)amino]benzoate

C17H29NO3 — CID 143419457

IUPACethane;ethyl 4-[methyl(propanoyl)amino]benzoate
SMILESCC.CC.CCOC(=O)c1ccc(N(C)C(=O)CC)cc1
InChIInChI=1S/C13H17NO3.2C2H6/c1-4-12(15)14(3)11-8-6-10(7-9-11)13(16)17-5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3
InChIKeyMEILZFHWPJRZQI-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.29
Rot. Bonds4

About ethane;ethyl 4-[methyl(propanoyl)amino]benzoate

ethane;ethyl 4-[methyl(propanoyl)amino]benzoate (PubChem CID 143419457) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is ethane;ethyl 4-[methyl(propanoyl)amino]benzoate.

Molecular Properties

Compound Nameethane;ethyl 4-[methyl(propanoyl)amino]benzoate
PubChem CID143419457
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nameethane;ethyl 4-[methyl(propanoyl)amino]benzoate
SMILESCC.CC.CCOC(=O)c1ccc(N(C)C(=O)CC)cc1
InChIInChI=1S/C13H17NO3.2C2H6/c1-4-12(15)14(3)11-8-6-10(7-9-11)13(16)17-5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3
InChIKeyMEILZFHWPJRZQI-UHFFFAOYSA-N
XLogP4.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-bromo-2-methylpropanoyl)-methylamino]benzoate
CID 101065889
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
ethyl 4-(diethoxyamino)benzoate
CID 22239273
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(N-aminoanilino)benzoate
CID 15629747
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-[methyl(propanoyl)amino]benzoate?
The IUPAC name of ethane;ethyl 4-[methyl(propanoyl)amino]benzoate (CID 143419457) is ethane;ethyl 4-[methyl(propanoyl)amino]benzoate.
What is the SMILES notation for ethane;ethyl 4-[methyl(propanoyl)amino]benzoate?
The canonical SMILES for ethane;ethyl 4-[methyl(propanoyl)amino]benzoate is CC.CC.CCOC(=O)c1ccc(N(C)C(=O)CC)cc1.
What is the InChIKey of ethane;ethyl 4-[methyl(propanoyl)amino]benzoate?
The InChIKey is MEILZFHWPJRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.2C2H6/c1-4-12(15)14(3)11-8-6-10(7-9-11)13(16)17-5-2;2*1-2/h6-9H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;ethyl 4-[methyl(propanoyl)amino]benzoate?
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate has a molecular weight of 295.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-[methyl(propanoyl)amino]benzoate is sourced from PubChem (CID 143419457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).