N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide

C25H34N2O3 — CID 43912146

IUPACN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C25H34N2O3/c1-4-5-6-7-8-18-30-23-15-13-21(14-16-23)25(29)26-22-11-9-10-20(19-22)12-17-24(28)27(2)3/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29)
InChIKeyRQNWSDZNNWDNDY-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.31
Rot. Bonds12

About N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide

N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide (PubChem CID 43912146) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
PubChem CID43912146
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C25H34N2O3/c1-4-5-6-7-8-18-30-23-15-13-21(14-16-23)25(29)26-22-11-9-10-20(19-22)12-17-24(28)27(2)3/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29)
InChIKeyRQNWSDZNNWDNDY-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.31
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

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
N-[3-(methylsulfonylmethyl)phenyl]-4-pentoxybenzamide
CID 60605378
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide?
The IUPAC name of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide (CID 43912146) is N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide?
The canonical SMILES for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide?
The InChIKey is RQNWSDZNNWDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-5-6-7-8-18-30-23-15-13-21(14-16-23)25(29)26-22-11-9-10-20(19-22)12-17-24(28)27(2)3/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide?
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide has a molecular weight of 410.56 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide is sourced from PubChem (CID 43912146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).