ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide

C21H30N2O3 — CID 143035952

IUPACethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
SMILESCC.Cc1ccc(C(=O)NCCCO)cc1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15NO2.C8H9NO.C2H6/c1-9-3-5-10(6-4-9)11(14)12-7-2-8-13;1-6-2-4-7(5-3-6)8(9)10;1-2/h3-6,13H,2,7-8H2,1H3,(H,12,14);2-5H,1H3,(H2,9,10);1-2H3
InChIKeyUSEFKSXFEBTHEE-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.23
Rot. Bonds5

About ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide

ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide (PubChem CID 143035952) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
PubChem CID143035952
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nameethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
SMILESCC.Cc1ccc(C(=O)NCCCO)cc1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15NO2.C8H9NO.C2H6/c1-9-3-5-10(6-4-9)11(14)12-7-2-8-13;1-6-2-4-7(5-3-6)8(9)10;1-2/h3-6,13H,2,7-8H2,1H3,(H,12,14);2-5H,1H3,(H2,9,10);1-2H3
InChIKeyUSEFKSXFEBTHEE-UHFFFAOYSA-N
XLogP3.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide?
The IUPAC name of ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide (CID 143035952) is ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide.
What is the SMILES notation for ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide?
The canonical SMILES for ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide is CC.Cc1ccc(C(=O)NCCCO)cc1.Cc1ccc(C(N)=O)cc1.
What is the InChIKey of ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide?
The InChIKey is USEFKSXFEBTHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C8H9NO.C2H6/c1-9-3-5-10(6-4-9)11(14)12-7-2-8-13;1-6-2-4-7(5-3-6)8(9)10;1-2/h3-6,13H,2,7-8H2,1H3,(H,12,14);2-5H,1H3,(H2,9,10);1-2H3.
What are the key properties of ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide?
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide has a molecular weight of 358.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide is sourced from PubChem (CID 143035952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).