[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate

C18H19NO5 — CID 163496944

IUPAC[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate
SMILESCNC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-12(19-2)23-17(20)13-6-10-16(11-7-13)24-18(21)14-4-8-15(22-3)9-5-14/h4-12,19H,1-3H3
InChIKeyCRNQLKMQYRFLJP-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.64
Rot. Bonds6

About [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate

[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate (PubChem CID 163496944) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate
PubChem CID163496944
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate
SMILESCNC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-12(19-2)23-17(20)13-6-10-16(11-7-13)24-18(21)14-4-8-15(22-3)9-5-14/h4-12,19H,1-3H3
InChIKeyCRNQLKMQYRFLJP-UHFFFAOYSA-N
XLogP2.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
CID 144581628
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826
1-hydroxyethyl 4-methoxybenzoate
CID 67719638
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541

Frequently Asked Questions

What is the IUPAC name of [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate (CID 163496944) is [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate is CNC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate?
The InChIKey is CRNQLKMQYRFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(19-2)23-17(20)13-6-10-16(11-7-13)24-18(21)14-4-8-15(22-3)9-5-14/h4-12,19H,1-3H3.
What are the key properties of [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate?
[4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(methylamino)ethoxycarbonyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 163496944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).