N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide

C12H17N3O4 — CID 108575005

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17N3O4/c1-15(2)12(19)14-4-3-13-11(18)8-5-9(16)7-10(17)6-8/h5-7,16-17H,3-4H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyZBLYALWYTDNBKD-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.10
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide

N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide (PubChem CID 108575005) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
PubChem CID108575005
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17N3O4/c1-15(2)12(19)14-4-3-13-11(18)8-5-9(16)7-10(17)6-8/h5-7,16-17H,3-4H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyZBLYALWYTDNBKD-UHFFFAOYSA-N
XLogP0.10
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-fluorobenzamide
CID 83108641
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
CID 104939248

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide (CID 108575005) is N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide is CN(C)C(=O)NCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide?
The InChIKey is ZBLYALWYTDNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(2)12(19)14-4-3-13-11(18)8-5-9(16)7-10(17)6-8/h5-7,16-17H,3-4H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide has a molecular weight of 267.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108575005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).