N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide

C18H21N3O4 — CID 108543039

IUPACN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(2)14-5-3-12(4-6-14)17(24)19-7-8-20-18(25)13-9-15(22)11-16(23)10-13/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyPTMSRGQQVKUIIK-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide

N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide (PubChem CID 108543039) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
PubChem CID108543039
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-21(2)14-5-3-12(4-6-14)17(24)19-7-8-20-18(25)13-9-15(22)11-16(23)10-13/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyPTMSRGQQVKUIIK-UHFFFAOYSA-N
XLogP1.32
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide (CID 108543039) is N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide is CN(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide?
The InChIKey is PTMSRGQQVKUIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(2)14-5-3-12(4-6-14)17(24)19-7-8-20-18(25)13-9-15(22)11-16(23)10-13/h3-6,9-11,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide?
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108543039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).