4-[[(3-methyloxan-3-yl)amino]methyl]benzamide

C14H20N2O2 — CID 103897385

IUPAC4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
SMILESCC1(NCc2ccc(C(N)=O)cc2)CCCOC1
InChIInChI=1S/C14H20N2O2/c1-14(7-2-8-18-10-14)16-9-11-3-5-12(6-4-11)13(15)17/h3-6,16H,2,7-10H2,1H3,(H2,15,17)
InChIKeyRERRAFOIVUNJIW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds4

About 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide

4-[[(3-methyloxan-3-yl)amino]methyl]benzamide (PubChem CID 103897385) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
PubChem CID103897385
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
SMILESCC1(NCc2ccc(C(N)=O)cc2)CCCOC1
InChIInChI=1S/C14H20N2O2/c1-14(7-2-8-18-10-14)16-9-11-3-5-12(6-4-11)13(15)17/h3-6,16H,2,7-10H2,1H3,(H2,15,17)
InChIKeyRERRAFOIVUNJIW-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
CID 62522600
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
CID 114113993
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
(3-methyloxan-3-yl)urea
CID 103895709

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide (CID 103897385) is 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide is CC1(NCc2ccc(C(N)=O)cc2)CCCOC1.
What is the InChIKey of 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide?
The InChIKey is RERRAFOIVUNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-2-8-18-10-14)16-9-11-3-5-12(6-4-11)13(15)17/h3-6,16H,2,7-10H2,1H3,(H2,15,17).
What are the key properties of 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide?
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyloxan-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 103897385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).