3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide

C16H25N3O2 — CID 171121602

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide
SMILESCN(C)CCNC(=O)c1cc(N)cc(C2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)6-5-18-16(20)14-9-13(10-15(17)11-14)12-3-7-21-8-4-12/h9-12H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyYCNUXBPYLNIKDB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide

3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide (PubChem CID 171121602) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide
PubChem CID171121602
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide
SMILESCN(C)CCNC(=O)c1cc(N)cc(C2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)6-5-18-16(20)14-9-13(10-15(17)11-14)12-3-7-21-8-4-12/h9-12H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyYCNUXBPYLNIKDB-UHFFFAOYSA-N
XLogP1.45
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.45
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-5-(oxan-4-yl)benzoic acid
CID 67514172
3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide
CID 126681616
3,5-diamino-N-propylbenzamide
CID 20701636
3-amino-5-cyclohexyl-N,N-diethylbenzamide
CID 171121587
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
CID 120941429
4-bromo-N-[2-(dimethylamino)ethyl]-3,5-difluorobenzamide
CID 172646665
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide (CID 171121602) is 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide is CN(C)CCNC(=O)c1cc(N)cc(C2CCOCC2)c1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide?
The InChIKey is YCNUXBPYLNIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)6-5-18-16(20)14-9-13(10-15(17)11-14)12-3-7-21-8-4-12/h9-12H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide?
3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-5-(oxan-4-yl)benzamide is sourced from PubChem (CID 171121602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).