methyl 4-[(3-propoxybenzoyl)amino]benzoate

C18H19NO4 — CID 2293242

IUPACmethyl 4-[(3-propoxybenzoyl)amino]benzoate
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H19NO4/c1-3-11-23-16-6-4-5-14(12-16)17(20)19-15-9-7-13(8-10-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyKTALLGALXUZNAQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.51
Rot. Bonds6

About methyl 4-[(3-propoxybenzoyl)amino]benzoate

methyl 4-[(3-propoxybenzoyl)amino]benzoate (PubChem CID 2293242) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-[(3-propoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-propoxybenzoyl)amino]benzoate
PubChem CID2293242
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 4-[(3-propoxybenzoyl)amino]benzoate
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H19NO4/c1-3-11-23-16-6-4-5-14(12-16)17(20)19-15-9-7-13(8-10-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyKTALLGALXUZNAQ-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
CID 17139559
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-propoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-propoxybenzoyl)amino]benzoate (CID 2293242) is methyl 4-[(3-propoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-propoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-propoxybenzoyl)amino]benzoate is CCCOc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[(3-propoxybenzoyl)amino]benzoate?
The InChIKey is KTALLGALXUZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-11-23-16-6-4-5-14(12-16)17(20)19-15-9-7-13(8-10-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[(3-propoxybenzoyl)amino]benzoate?
methyl 4-[(3-propoxybenzoyl)amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-propoxybenzoyl)amino]benzoate is sourced from PubChem (CID 2293242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).