N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide

C15H23N3O2 — CID 108570702

IUPACN-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)17-11-10-16-14(19)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyIBEYWMHFIPZQCX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide

N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide (PubChem CID 108570702) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
PubChem CID108570702
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)17-11-10-16-14(19)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyIBEYWMHFIPZQCX-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide (CID 108570702) is N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide is CCN(CC)C(=O)NCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide?
The InChIKey is IBEYWMHFIPZQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(5-2)15(20)17-11-10-16-14(19)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide?
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 108570702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).