3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide

C14H23N3O2 — CID 81092304

IUPAC3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
SMILESCOc1cc(N)cc(C(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-16(2)6-5-7-17(3)14(18)11-8-12(15)10-13(9-11)19-4/h8-10H,5-7,15H2,1-4H3
InChIKeyYOEZGJQVPNHKGK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.30
Rot. Bonds6

About 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide

3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide (PubChem CID 81092304) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
PubChem CID81092304
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
SMILESCOc1cc(N)cc(C(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-16(2)6-5-7-17(3)14(18)11-8-12(15)10-13(9-11)19-4/h8-10H,5-7,15H2,1-4H3
InChIKeyYOEZGJQVPNHKGK-UHFFFAOYSA-N
XLogP1.30
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.30
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-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
N-(2-bromoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 80659809
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
3-[2-(dimethylamino)ethyl-methylcarbamoyl]-5-methoxybenzoic acid;formic acid
CID 154905672
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
CID 114526455
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913786
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide (CID 81092304) is 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide is COc1cc(N)cc(C(=O)N(C)CCCN(C)C)c1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide?
The InChIKey is YOEZGJQVPNHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)6-5-7-17(3)14(18)11-8-12(15)10-13(9-11)19-4/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide?
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 81092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).