methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate

C24H30N2O4 — CID 46449947

IUPACmethyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-16(26-22(28)18-10-12-20(13-11-18)24(2,3)4)21(27)25-15-14-17-6-8-19(9-7-17)23(29)30-5/h6-13,16H,14-15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyAQVYPRNBVLSYPF-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.25
Rot. Bonds7

About methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate

methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate (PubChem CID 46449947) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
PubChem CID46449947
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-16(26-22(28)18-10-12-20(13-11-18)24(2,3)4)21(27)25-15-14-17-6-8-19(9-7-17)23(29)30-5/h6-13,16H,14-15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyAQVYPRNBVLSYPF-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111447068
ethane;methyl 4-[2-[(4-tert-butylbenzoyl)amino]-3-methoxy-3-oxopropyl]benzoate
CID 144758508
methyl 4-[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methoxy-3-oxopropyl]benzoate;molecular hydrogen
CID 145099125
4-tert-butyl-N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112771440
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate (CID 46449947) is methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate?
The InChIKey is AQVYPRNBVLSYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(26-22(28)18-10-12-20(13-11-18)24(2,3)4)21(27)25-15-14-17-6-8-19(9-7-17)23(29)30-5/h6-13,16H,14-15H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate?
methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate has a molecular weight of 410.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate is sourced from PubChem (CID 46449947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).