3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide

C15H23N3O2 — CID 82989654

IUPAC3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NCC2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)15(19)12-3-4-14(13(16)9-12)17-10-11-5-7-20-8-6-11/h3-4,9,11,17H,5-8,10,16H2,1-2H3
InChIKeySMGODEKFVMZSCO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide

3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide (PubChem CID 82989654) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
PubChem CID82989654
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NCC2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)15(19)12-3-4-14(13(16)9-12)17-10-11-5-7-20-8-6-11/h3-4,9,11,17H,5-8,10,16H2,1-2H3
InChIKeySMGODEKFVMZSCO-UHFFFAOYSA-N
XLogP1.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
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-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
3-amino-4-(oxan-4-ylmethylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 86612462
3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82990765
3-amino-4-(oxolan-3-ylmethylamino)benzamide
CID 62822752
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
N-[3-amino-4-(oxan-4-ylmethylamino)phenyl]-N-methylacetamide;N-methyl-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]acetamide
CID 157296128
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
CID 63358660

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide (CID 82989654) is 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(NCC2CCOCC2)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide?
The InChIKey is SMGODEKFVMZSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)15(19)12-3-4-14(13(16)9-12)17-10-11-5-7-20-8-6-11/h3-4,9,11,17H,5-8,10,16H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide?
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide is sourced from PubChem (CID 82989654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).