methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate

C21H26N2O4 — CID 90211616

IUPACmethyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(NCCN2CCOCC2)c1
InChIInChI=1S/C21H26N2O4/c1-25-21(24)18-7-8-20(27-16-17-5-3-2-4-6-17)19(15-18)22-9-10-23-11-13-26-14-12-23/h2-8,15,22H,9-14,16H2,1H3
InChIKeyMDQSONIWMUPAHE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.80
Rot. Bonds8

About methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate

methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate (PubChem CID 90211616) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
PubChem CID90211616
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(NCCN2CCOCC2)c1
InChIInChI=1S/C21H26N2O4/c1-25-21(24)18-7-8-20(27-16-17-5-3-2-4-6-17)19(15-18)22-9-10-23-11-13-26-14-12-23/h2-8,15,22H,9-14,16H2,1H3
InChIKeyMDQSONIWMUPAHE-UHFFFAOYSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108517524
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
ethane;methanol;methyl 4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethylamino]benzoate;prop-1-yn-1-ol
CID 144638768
methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
CID 163959263
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
CID 142799155

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate?
The IUPAC name of methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate (CID 90211616) is methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate is COC(=O)c1ccc(OCc2ccccc2)c(NCCN2CCOCC2)c1.
What is the InChIKey of methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate?
The InChIKey is MDQSONIWMUPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-21(24)18-7-8-20(27-16-17-5-3-2-4-6-17)19(15-18)22-9-10-23-11-13-26-14-12-23/h2-8,15,22H,9-14,16H2,1H3.
What are the key properties of methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate?
methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate has a molecular weight of 370.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate is sourced from PubChem (CID 90211616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).