N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide

C11H12N4O2 — CID 78993904

IUPACN-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCNC(N)=O)c1
InChIInChI=1S/C11H12N4O2/c12-7-8-2-1-3-9(6-8)10(16)14-4-5-15-11(13)17/h1-3,6H,4-5H2,(H,14,16)(H3,13,15,17)
InChIKeyAIPYHIRVWPTMHH-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.04
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide

N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide (PubChem CID 78993904) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
PubChem CID78993904
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCNC(N)=O)c1
InChIInChI=1S/C11H12N4O2/c12-7-8-2-1-3-9(6-8)10(16)14-4-5-15-11(13)17/h1-3,6H,4-5H2,(H,14,16)(H3,13,15,17)
InChIKeyAIPYHIRVWPTMHH-UHFFFAOYSA-N
XLogP-0.04
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.04
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

N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
N-(2-azidoethyl)-3-cyanobenzamide
CID 61343052
3-cyano-N-prop-2-enylbenzamide
CID 24701030

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide (CID 78993904) is N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NCCNC(N)=O)c1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide?
The InChIKey is AIPYHIRVWPTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-7-8-2-1-3-9(6-8)10(16)14-4-5-15-11(13)17/h1-3,6H,4-5H2,(H,14,16)(H3,13,15,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide?
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide has a molecular weight of 232.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide is sourced from PubChem (CID 78993904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).