N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide

C14H22N2O3 — CID 103956220

IUPACN-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)9-5-8-15-14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,3-5,8-9H2,1-2H3,(H,15,19)
InChIKeyPYENANSOUNPMJE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide

N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide (PubChem CID 103956220) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
PubChem CID103956220
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)9-5-8-15-14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,3-5,8-9H2,1-2H3,(H,15,19)
InChIKeyPYENANSOUNPMJE-UHFFFAOYSA-N
XLogP1.56
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
N-[3-(diethylamino)propyl]-4-[4-(3,4-dihydroxyphenyl)triazol-1-yl]benzamide
CID 142609806
2-N,7-N-bis[3-(diethylamino)propyl]-9-oxoxanthene-2,7-dicarboxamide
CID 515386
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide (CID 103956220) is N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide is CCN(CC)CCCNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide?
The InChIKey is PYENANSOUNPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(4-2)9-5-8-15-14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,3-5,8-9H2,1-2H3,(H,15,19).
What are the key properties of N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide?
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).