3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide

C17H29N3O2 — CID 93216779

IUPAC3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-5-6-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(2)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyCCHFYWLKARLHEM-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.52
Rot. Bonds10

About 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide

3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide (PubChem CID 93216779) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
PubChem CID93216779
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-5-6-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(2)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyCCHFYWLKARLHEM-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
3-amino-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide (CID 93216779) is 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCCN(C)C)cc1N.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide?
The InChIKey is CCHFYWLKARLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-5-6-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(2)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide?
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide has a molecular weight of 307.44 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide is sourced from PubChem (CID 93216779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).