3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide

C16H27N3O3 — CID 93216844

IUPAC3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OCCCN(C)C)c(N)c1
InChIInChI=1S/C16H27N3O3/c1-19(2)9-5-11-22-15-7-6-13(12-14(15)17)16(20)18-8-4-10-21-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,20)
InChIKeyIUQFPAJIWFRCEF-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.37
Rot. Bonds10

About 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide

3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide (PubChem CID 93216844) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
PubChem CID93216844
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OCCCN(C)C)c(N)c1
InChIInChI=1S/C16H27N3O3/c1-19(2)9-5-11-22-15-7-6-13(12-14(15)17)16(20)18-8-4-10-21-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,20)
InChIKeyIUQFPAJIWFRCEF-UHFFFAOYSA-N
XLogP1.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide (CID 93216844) is 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(OCCCN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide?
The InChIKey is IUQFPAJIWFRCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-19(2)9-5-11-22-15-7-6-13(12-14(15)17)16(20)18-8-4-10-21-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide?
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 93216844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).