3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide

C15H25N3O2 — CID 81089994

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H25N3O2/c1-5-6-18(8-7-17(2)3)15(19)12-9-13(16)11-14(10-12)20-4/h9-11H,5-8,16H2,1-4H3
InChIKeyOYGTXTWEXJNHGR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide

3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide (PubChem CID 81089994) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
PubChem CID81089994
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H25N3O2/c1-5-6-18(8-7-17(2)3)15(19)12-9-13(16)11-14(10-12)20-4/h9-11H,5-8,16H2,1-4H3
InChIKeyOYGTXTWEXJNHGR-UHFFFAOYSA-N
XLogP1.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
CID 142843916
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
3-methoxy-N,N-dipropylbenzamide
CID 669439
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
3-amino-N-(4-ethylphenyl)-5-methoxy-N-methylbenzamide
CID 81093516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide (CID 81089994) is 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide?
The InChIKey is OYGTXTWEXJNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-6-18(8-7-17(2)3)15(19)12-9-13(16)11-14(10-12)20-4/h9-11H,5-8,16H2,1-4H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide?
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide is sourced from PubChem (CID 81089994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).