4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide

C15H23N3O3 — CID 81133978

IUPAC4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC2(O)CCOCC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(2)14(19)11-3-4-12(16)13(9-11)17-10-15(20)5-7-21-8-6-15/h3-4,9,17,20H,5-8,10,16H2,1-2H3
InChIKeyYCFTURUNAQLNCQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide

4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 81133978) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID81133978
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC2(O)CCOCC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(2)14(19)11-3-4-12(16)13(9-11)17-10-15(20)5-7-21-8-6-15/h3-4,9,17,20H,5-8,10,16H2,1-2H3
InChIKeyYCFTURUNAQLNCQ-UHFFFAOYSA-N
XLogP0.92
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylbenzamide
CID 63360796
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide (CID 81133978) is 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(NCC2(O)CCOCC2)c1.
What is the InChIKey of 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is YCFTURUNAQLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(2)14(19)11-3-4-12(16)13(9-11)17-10-15(20)5-7-21-8-6-15/h3-4,9,17,20H,5-8,10,16H2,1-2H3.
What are the key properties of 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide?
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 81133978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).