N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate

C19H25NO4 — CID 145103744

IUPACN,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
SMILESCN(C)C.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O4.C3H9N/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-4(2)3/h3-10H,11H2,1-2H3;1-3H3
InChIKeySPIAOFHQXQEBFX-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.24
Rot. Bonds5

About N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate

N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 145103744) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
PubChem CID145103744
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
SMILESCN(C)C.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H16O4.C3H9N/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-4(2)3/h3-10H,11H2,1-2H3;1-3H3
InChIKeySPIAOFHQXQEBFX-UHFFFAOYSA-N
XLogP3.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
prop-2-ynyl 3-methoxy-4-phenylmethoxybenzoate
CID 91681830
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
2-methylsulfanylethyl 3-methoxy-4-phenylmethoxybenzoate
CID 86977014
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate (CID 145103744) is N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate is CN(C)C.COC(=O)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is SPIAOFHQXQEBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C3H9N/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12;1-4(2)3/h3-10H,11H2,1-2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate?
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 331.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 145103744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).