ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate

C22H28N2O3 — CID 67045210

IUPACethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(NC(=O)c2cc(N(C)C)ccc2C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-27-21(25)8-6-7-17-10-12-18(13-11-17)23-22(26)20-15-19(24(3)4)14-9-16(20)2/h9-15H,5-8H2,1-4H3,(H,23,26)
InChIKeyLFXQEZSLIYTURI-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.20
Rot. Bonds8

About ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate

ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate (PubChem CID 67045210) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate
PubChem CID67045210
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(NC(=O)c2cc(N(C)C)ccc2C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-27-21(25)8-6-7-17-10-12-18(13-11-17)23-22(26)20-15-19(24(3)4)14-9-16(20)2/h9-15H,5-8H2,1-4H3,(H,23,26)
InChIKeyLFXQEZSLIYTURI-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylphenyl)butanoate
CID 10013221
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-[4-(dimethylamino)phenyl]propanoate
CID 8003560
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
CID 15491493
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606172
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
3-phenylpropyl 5-[4-[(2-methylbenzoyl)amino]anilino]-5-oxopentanoate
CID 17251597
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
ethyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711023
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate?
The IUPAC name of ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate (CID 67045210) is ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate.
What is the SMILES notation for ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate?
The canonical SMILES for ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate is CCOC(=O)CCCc1ccc(NC(=O)c2cc(N(C)C)ccc2C)cc1.
What is the InChIKey of ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate?
The InChIKey is LFXQEZSLIYTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-27-21(25)8-6-7-17-10-12-18(13-11-17)23-22(26)20-15-19(24(3)4)14-9-16(20)2/h9-15H,5-8H2,1-4H3,(H,23,26).
What are the key properties of ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate?
ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate has a molecular weight of 368.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[[5-(dimethylamino)-2-methylbenzoyl]amino]phenyl]butanoate is sourced from PubChem (CID 67045210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).