N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide

C11H12N4O2 — CID 54936182

IUPACN-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(=O)NC(N)=O)cc1
InChIInChI=1S/C11H12N4O2/c12-5-8-1-3-9(4-2-8)6-14-7-10(16)15-11(13)17/h1-4,14H,6-7H2,(H3,13,15,16,17)
InChIKeyABMMGRFQEFFXQU-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.16
Rot. Bonds4

About N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide

N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide (PubChem CID 54936182) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
PubChem CID54936182
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(=O)NC(N)=O)cc1
InChIInChI=1S/C11H12N4O2/c12-5-8-1-3-9(4-2-8)6-14-7-10(16)15-11(13)17/h1-4,14H,6-7H2,(H3,13,15,16,17)
InChIKeyABMMGRFQEFFXQU-UHFFFAOYSA-N
XLogP-0.16
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
2-[(4-cyanophenyl)methylamino]ethylurea
CID 83111146
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
CID 60918679
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 54936321
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide (CID 54936182) is N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide is N#Cc1ccc(CNCC(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide?
The InChIKey is ABMMGRFQEFFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-8-1-3-9(4-2-8)6-14-7-10(16)15-11(13)17/h1-4,14H,6-7H2,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide?
N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide has a molecular weight of 232.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide is sourced from PubChem (CID 54936182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).