[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid

C16H18N2O5 — CID 118389322

IUPAC[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid
SMILESCOc1ccc(COc2ccc(CNC(=O)O)cc2OC)cn1
InChIInChI=1S/C16H18N2O5/c1-21-14-7-11(8-18-16(19)20)3-5-13(14)23-10-12-4-6-15(22-2)17-9-12/h3-7,9,18H,8,10H2,1-2H3,(H,19,20)
InChIKeyDUJSBVBBTLDDOT-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.45
Rot. Bonds7

About [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid

[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid (PubChem CID 118389322) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid
PubChem CID118389322
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid
SMILESCOc1ccc(COc2ccc(CNC(=O)O)cc2OC)cn1
InChIInChI=1S/C16H18N2O5/c1-21-14-7-11(8-18-16(19)20)3-5-13(14)23-10-12-4-6-15(22-2)17-9-12/h3-7,9,18H,8,10H2,1-2H3,(H,19,20)
InChIKeyDUJSBVBBTLDDOT-UHFFFAOYSA-N
XLogP2.45
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 94866694
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid?
The IUPAC name of [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid (CID 118389322) is [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid.
What is the SMILES notation for [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid?
The canonical SMILES for [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid is COc1ccc(COc2ccc(CNC(=O)O)cc2OC)cn1.
What is the InChIKey of [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid?
The InChIKey is DUJSBVBBTLDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-21-14-7-11(8-18-16(19)20)3-5-13(14)23-10-12-4-6-15(22-2)17-9-12/h3-7,9,18H,8,10H2,1-2H3,(H,19,20).
What are the key properties of [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid?
[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid has a molecular weight of 318.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methylcarbamic acid is sourced from PubChem (CID 118389322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).