N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide

C16H26N2O3 — CID 102993947

IUPACN-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C16H26N2O3/c1-4-17(5-2)11-8-12-18(6-3)16(21)13-9-7-10-14(19)15(13)20/h7,9-10,19-20H,4-6,8,11-12H2,1-3H3
InChIKeyKZKIIBWXUDBXOF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.29
Rot. Bonds8

About N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide

N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide (PubChem CID 102993947) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
PubChem CID102993947
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C16H26N2O3/c1-4-17(5-2)11-8-12-18(6-3)16(21)13-9-7-10-14(19)15(13)20/h7,9-10,19-20H,4-6,8,11-12H2,1-3H3
InChIKeyKZKIIBWXUDBXOF-UHFFFAOYSA-N
XLogP2.29
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
CID 102993518
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
CID 145020440
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide (CID 102993947) is N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide is CCN(CC)CCCN(CC)C(=O)c1cccc(O)c1O.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide?
The InChIKey is KZKIIBWXUDBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-17(5-2)11-8-12-18(6-3)16(21)13-9-7-10-14(19)15(13)20/h7,9-10,19-20H,4-6,8,11-12H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide?
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide has a molecular weight of 294.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide is sourced from PubChem (CID 102993947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).