methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate

C22H26N2O5 — CID 7328734

IUPACmethyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-29-18-7-4-16(5-8-18)21(25)23-17-6-9-20(19(15-17)22(26)27-2)24-10-13-28-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyHSVNZYXIMIELLX-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.35
Rot. Bonds7

About methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate

methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate (PubChem CID 7328734) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
PubChem CID7328734
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namemethyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
SMILESCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-29-18-7-4-16(5-8-18)21(25)23-17-6-9-20(19(15-17)22(26)27-2)24-10-13-28-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyHSVNZYXIMIELLX-UHFFFAOYSA-N
XLogP3.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 21168713
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate (CID 7328734) is methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate is CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate?
The InChIKey is HSVNZYXIMIELLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-12-29-18-7-4-16(5-8-18)21(25)23-17-6-9-20(19(15-17)22(26)27-2)24-10-13-28-14-11-24/h4-9,15H,3,10-14H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate?
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate is sourced from PubChem (CID 7328734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).