N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide

C21H29N3O3 — CID 51047336

IUPACN-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1
InChIInChI=1S/C21H29N3O3/c1-4-24(5-2)14-13-22-21(26)16-9-11-18(12-10-16)23-15-17-7-6-8-19(27-3)20(17)25/h6-12,23,25H,4-5,13-15H2,1-3H3,(H,22,26)
InChIKeyZXZQRFLMYBCITH-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.08
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide (PubChem CID 51047336) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide
PubChem CID51047336
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1
InChIInChI=1S/C21H29N3O3/c1-4-24(5-2)14-13-22-21(26)16-9-11-18(12-10-16)23-15-17-7-6-8-19(27-3)20(17)25/h6-12,23,25H,4-5,13-15H2,1-3H3,(H,22,26)
InChIKeyZXZQRFLMYBCITH-UHFFFAOYSA-N
XLogP3.08
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
ethyl 3-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047333
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide (CID 51047336) is N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide?
The InChIKey is ZXZQRFLMYBCITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-24(5-2)14-13-22-21(26)16-9-11-18(12-10-16)23-15-17-7-6-8-19(27-3)20(17)25/h6-12,23,25H,4-5,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide has a molecular weight of 371.48 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 51047336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).