4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide

C17H29N3O2 — CID 19869411

IUPAC4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
SMILESCCN(CC)CCNCCCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H29N3O2/c1-3-20(4-2)13-12-19-11-5-6-14-22-16-9-7-15(8-10-16)17(18)21/h7-10,19H,3-6,11-14H2,1-2H3,(H2,18,21)
InChIKeyMLVIVZFSFGEIHU-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.88
Rot. Bonds12

About 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide

4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide (PubChem CID 19869411) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide.

Molecular Properties

Compound Name4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
PubChem CID19869411
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
SMILESCCN(CC)CCNCCCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H29N3O2/c1-3-20(4-2)13-12-19-11-5-6-14-22-16-9-7-15(8-10-16)17(18)21/h7-10,19H,3-6,11-14H2,1-2H3,(H2,18,21)
InChIKeyMLVIVZFSFGEIHU-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
N-[2-(diethylamino)ethylcarbamothioyl]-4-hexoxybenzamide
CID 17218552
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
4-(4-propoxyphenyl)benzamide
CID 23771495
9-(2-hydroxyethylamino)nonyl 4-nonoxybenzoate
CID 176548799
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide?
The IUPAC name of 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide (CID 19869411) is 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide.
What is the SMILES notation for 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide?
The canonical SMILES for 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide is CCN(CC)CCNCCCCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide?
The InChIKey is MLVIVZFSFGEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-20(4-2)13-12-19-11-5-6-14-22-16-9-7-15(8-10-16)17(18)21/h7-10,19H,3-6,11-14H2,1-2H3,(H2,18,21).
What are the key properties of 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide?
4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide has a molecular weight of 307.44 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide is sourced from PubChem (CID 19869411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).