N-phenyliminobutanamide

C10H12N2O — CID 123707151

IUPACN-phenyliminobutanamide
SMILESCCCC(=O)/N=N/c1ccccc1
InChIInChI=1S/C10H12N2O/c1-2-6-10(13)12-11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/b12-11+
InChIKeyOMORCNXDFFKXMC-VAWYXSNFSA-N
MW176.22 g/mol
LogP3.10
Rot. Bonds3

About N-phenyliminobutanamide

N-phenyliminobutanamide (PubChem CID 123707151) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-phenyliminobutanamide.

Molecular Properties

Compound NameN-phenyliminobutanamide
PubChem CID123707151
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-phenyliminobutanamide
SMILESCCCC(=O)/N=N/c1ccccc1
InChIInChI=1S/C10H12N2O/c1-2-6-10(13)12-11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/b12-11+
InChIKeyOMORCNXDFFKXMC-VAWYXSNFSA-N
XLogP3.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-hydroxy-2-phenyldiazenylpent-2-enoate
CID 135448457
2-methyl-3-oxo-3-phenyldiazenylpropanoic acid
CID 123853150
N-methyliminobutanamide
CID 141214785
diphenyldiazene;urea
CID 175083568
1-phenylbutan-1-one
CID 10315
4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
CID 137220063
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
1-phenylbutan-1-one;hydrobromide
CID 139638507
[3-(propanoyldiazenyl)phenyl]boronic acid
CID 91290809
1-(4-ethoxyphenyl)-3-phenyliminourea
CID 10730679
methanethiol;1-phenylbutan-1-one
CID 143799522
pentan-2-one;toluene
CID 70447052

Frequently Asked Questions

What is the IUPAC name of N-phenyliminobutanamide?
The IUPAC name of N-phenyliminobutanamide (CID 123707151) is N-phenyliminobutanamide.
What is the SMILES notation for N-phenyliminobutanamide?
The canonical SMILES for N-phenyliminobutanamide is CCCC(=O)/N=N/c1ccccc1.
What is the InChIKey of N-phenyliminobutanamide?
The InChIKey is OMORCNXDFFKXMC-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-6-10(13)12-11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/b12-11+.
What are the key properties of N-phenyliminobutanamide?
N-phenyliminobutanamide has a molecular weight of 176.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyliminobutanamide is sourced from PubChem (CID 123707151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).