3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide

C24H34N2O2 — CID 73295422

IUPAC3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide
SMILESCCCCOc1ccc(-c2cccc(C(=O)NCCCN(CC)CC)c2)cc1
InChIInChI=1S/C24H34N2O2/c1-4-7-18-28-23-14-12-20(13-15-23)21-10-8-11-22(19-21)24(27)25-16-9-17-26(5-2)6-3/h8,10-15,19H,4-7,9,16-18H2,1-3H3,(H,25,27)
InChIKeySTMJYMMNBMFWNN-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.99
Rot. Bonds12

About 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide

3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide (PubChem CID 73295422) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide
PubChem CID73295422
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide
SMILESCCCCOc1ccc(-c2cccc(C(=O)NCCCN(CC)CC)c2)cc1
InChIInChI=1S/C24H34N2O2/c1-4-7-18-28-23-14-12-20(13-15-23)21-10-8-11-22(19-21)24(27)25-16-9-17-26(5-2)6-3/h8,10-15,19H,4-7,9,16-18H2,1-3H3,(H,25,27)
InChIKeySTMJYMMNBMFWNN-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide
CID 559588
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952505
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide (CID 73295422) is 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide is CCCCOc1ccc(-c2cccc(C(=O)NCCCN(CC)CC)c2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is STMJYMMNBMFWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-4-7-18-28-23-14-12-20(13-15-23)21-10-8-11-22(19-21)24(27)25-16-9-17-26(5-2)6-3/h8,10-15,19H,4-7,9,16-18H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide?
3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 382.55 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 73295422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).