N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide

C14H19NO3 — CID 87894906

IUPACN-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
SMILESCOc1cccc(CN(C=O)CC2CCCO2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-5-2-4-12(8-13)9-15(11-16)10-14-6-3-7-18-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3
InChIKeyRMFOQWMTFJULAE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide

N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide (PubChem CID 87894906) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
PubChem CID87894906
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
SMILESCOc1cccc(CN(C=O)CC2CCCO2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-5-2-4-12(8-13)9-15(11-16)10-14-6-3-7-18-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3
InChIKeyRMFOQWMTFJULAE-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 119753278
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
CID 24713843
3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 17065543
3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 4105893
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818496
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide (CID 87894906) is N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide is COc1cccc(CN(C=O)CC2CCCO2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide?
The InChIKey is RMFOQWMTFJULAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-5-2-4-12(8-13)9-15(11-16)10-14-6-3-7-18-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide?
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide has a molecular weight of 249.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide is sourced from PubChem (CID 87894906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).