4-amino-N-benzyl-N-methyloxane-4-carboxamide

C14H20N2O2 — CID 115293535

IUPAC4-amino-N-benzyl-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(11-12-5-3-2-4-6-12)13(17)14(15)7-9-18-10-8-14/h2-6H,7-11,15H2,1H3
InChIKeyMSPVXNFTWWIMHM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds3

About 4-amino-N-benzyl-N-methyloxane-4-carboxamide

4-amino-N-benzyl-N-methyloxane-4-carboxamide (PubChem CID 115293535) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-methyloxane-4-carboxamide
PubChem CID115293535
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-benzyl-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H20N2O2/c1-16(11-12-5-3-2-4-6-12)13(17)14(15)7-9-18-10-8-14/h2-6H,7-11,15H2,1H3
InChIKeyMSPVXNFTWWIMHM-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
CID 115294277
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-methyloxane-4-carboxamide (CID 115293535) is 4-amino-N-benzyl-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-methyloxane-4-carboxamide is CN(Cc1ccccc1)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-benzyl-N-methyloxane-4-carboxamide?
The InChIKey is MSPVXNFTWWIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(11-12-5-3-2-4-6-12)13(17)14(15)7-9-18-10-8-14/h2-6H,7-11,15H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-methyloxane-4-carboxamide?
4-amino-N-benzyl-N-methyloxane-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-methyloxane-4-carboxamide is sourced from PubChem (CID 115293535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).