4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide

C20H24N2O4 — CID 120920350

IUPAC4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)22-19(23)20(14-21)10-12-25-13-11-20/h2-9H,10-14,21H2,1H3,(H,22,23)
InChIKeyNKKNQDLYFGCLKX-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.18
Rot. Bonds6

About 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide (PubChem CID 120920350) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
PubChem CID120920350
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)22-19(23)20(14-21)10-12-25-13-11-20/h2-9H,10-14,21H2,1H3,(H,22,23)
InChIKeyNKKNQDLYFGCLKX-UHFFFAOYSA-N
XLogP3.18
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
CID 120926677
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide
CID 120939094
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide (CID 120920350) is 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide is COc1ccccc1Oc1ccc(NC(=O)C2(CN)CCOCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide?
The InChIKey is NKKNQDLYFGCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)22-19(23)20(14-21)10-12-25-13-11-20/h2-9H,10-14,21H2,1H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120920350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).