3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide

C14H21N3O2 — CID 55225636

IUPAC3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,15-16H2,1H3
InChIKeyLTGWIARDCPCQRH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds3

About 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide

3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 55225636) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID55225636
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,15-16H2,1H3
InChIKeyLTGWIARDCPCQRH-UHFFFAOYSA-N
XLogP1.35
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 63725531
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 55225636) is 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is LTGWIARDCPCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,15-16H2,1H3.
What are the key properties of 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 55225636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).