4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H20N2O2 — CID 63725878

IUPAC4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3
InChIKeyXCDSBTFQDHJEHE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide

4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63725878) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63725878
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3
InChIKeyXCDSBTFQDHJEHE-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63725878) is 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is XCDSBTFQDHJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide?
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63725878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).