N-[3-(diethylamino)propyl]-4-ethoxybenzamide

C16H26N2O2 — CID 559920

IUPACN-[3-(diethylamino)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)13-7-12-17-16(19)14-8-10-15(11-9-14)20-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyFGKTUCXGNLCAFR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.55
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-ethoxybenzamide

N-[3-(diethylamino)propyl]-4-ethoxybenzamide (PubChem CID 559920) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-ethoxybenzamide
PubChem CID559920
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(diethylamino)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-18(5-2)13-7-12-17-16(19)14-8-10-15(11-9-14)20-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyFGKTUCXGNLCAFR-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxybenzamide (CID 559920) is N-[3-(diethylamino)propyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCCN(CC)CC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-ethoxybenzamide?
The InChIKey is FGKTUCXGNLCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(5-2)13-7-12-17-16(19)14-8-10-15(11-9-14)20-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-4-ethoxybenzamide?
N-[3-(diethylamino)propyl]-4-ethoxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-ethoxybenzamide is sourced from PubChem (CID 559920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).