3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide

C17H29N3O2 — CID 93216760

IUPAC3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCN(CC)CC)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyOYTMECJPUHAEEE-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.52
Rot. Bonds10

About 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide

3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide (PubChem CID 93216760) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
PubChem CID93216760
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCN(CC)CC)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyOYTMECJPUHAEEE-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-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
CID 82069925
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide (CID 93216760) is 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCCN(CC)CC)cc1N.
What is the InChIKey of 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide?
The InChIKey is OYTMECJPUHAEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-12-22-16-9-8-14(13-15(16)18)17(21)19-10-7-11-20(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide?
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide 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-(diethylamino)propyl]-4-propoxybenzamide is sourced from PubChem (CID 93216760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).