N-[2-(methylcarbamoylamino)ethyl]benzamide

C11H15N3O2 — CID 47152136

IUPACN-[2-(methylcarbamoylamino)ethyl]benzamide
SMILESCNC(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-12-11(16)14-8-7-13-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16)
InChIKeyKWSPZTDKHAZVEZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.35
Rot. Bonds4

About N-[2-(methylcarbamoylamino)ethyl]benzamide

N-[2-(methylcarbamoylamino)ethyl]benzamide (PubChem CID 47152136) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(methylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(methylcarbamoylamino)ethyl]benzamide
PubChem CID47152136
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[2-(methylcarbamoylamino)ethyl]benzamide
SMILESCNC(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-12-11(16)14-8-7-13-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16)
InChIKeyKWSPZTDKHAZVEZ-UHFFFAOYSA-N
XLogP0.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
1-methyl-3-(3-oxo-3-phenylpropyl)urea
CID 91603389
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110917267
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-methylbenzamide
CID 11954
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-ethylbenzamide
CID 160772566
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylcarbamoylamino)ethyl]benzamide?
The IUPAC name of N-[2-(methylcarbamoylamino)ethyl]benzamide (CID 47152136) is N-[2-(methylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-(methylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for N-[2-(methylcarbamoylamino)ethyl]benzamide is CNC(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(methylcarbamoylamino)ethyl]benzamide?
The InChIKey is KWSPZTDKHAZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-12-11(16)14-8-7-13-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16).
What are the key properties of N-[2-(methylcarbamoylamino)ethyl]benzamide?
N-[2-(methylcarbamoylamino)ethyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 47152136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).