4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide

C18H28N2O2 — CID 120927474

IUPAC4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(CN)CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)14-5-7-15(8-6-14)20(4)16(21)18(13-19)9-11-22-12-10-18/h5-8H,9-13,19H2,1-4H3
InChIKeyJAPHCRISLBXJIZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.70
Rot. Bonds3

About 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide (PubChem CID 120927474) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
PubChem CID120927474
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(CN)CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)14-5-7-15(8-6-14)20(4)16(21)18(13-19)9-11-22-12-10-18/h5-8H,9-13,19H2,1-4H3
InChIKeyJAPHCRISLBXJIZ-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79390007
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 115439195
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide (CID 120927474) is 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide is CN(C(=O)C1(CN)CCOCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide?
The InChIKey is JAPHCRISLBXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2,3)14-5-7-15(8-6-14)20(4)16(21)18(13-19)9-11-22-12-10-18/h5-8H,9-13,19H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 120927474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).