methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate

C21H24N2O4 — CID 51337606

IUPACmethyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-14-15-5-7-16(8-6-15)20(24)22-18-13-17(21(25)27-2)9-10-19(18)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyJXLOUILLHLUNAY-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.47
Rot. Bonds6

About methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate

methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate (PubChem CID 51337606) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
PubChem CID51337606
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-14-15-5-7-16(8-6-15)20(24)22-18-13-17(21(25)27-2)9-10-19(18)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyJXLOUILLHLUNAY-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
methyl 3-(2-methylbutanoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51337619
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822
methyl 3-[(3,5-difluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate
CID 55698536
methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorobenzoyl)amino]benzoate
CID 7328895
methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate;hydrochloride
CID 163326563
methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 17274872

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate (CID 51337606) is methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate is COCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)cc1.
What is the InChIKey of methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate?
The InChIKey is JXLOUILLHLUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-14-15-5-7-16(8-6-15)20(24)22-18-13-17(21(25)27-2)9-10-19(18)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate?
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 51337606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).