N,N-dibutylformamide;N-methyl-N-phenylformamide

C17H28N2O2 — CID 23174930

IUPACN,N-dibutylformamide;N-methyl-N-phenylformamide
SMILESCCCCN(C=O)CCCC.CN(C=O)c1ccccc1
InChIInChI=1S/C9H19NO.C8H9NO/c1-3-5-7-10(9-11)8-6-4-2;1-9(7-10)8-5-3-2-4-6-8/h9H,3-8H2,1-2H3;2-7H,1H3
InChIKeyYMLWOZLZFWNYJH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.32
Rot. Bonds9

About N,N-dibutylformamide;N-methyl-N-phenylformamide

N,N-dibutylformamide;N-methyl-N-phenylformamide (PubChem CID 23174930) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dibutylformamide;N-methyl-N-phenylformamide.

Molecular Properties

Compound NameN,N-dibutylformamide;N-methyl-N-phenylformamide
PubChem CID23174930
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dibutylformamide;N-methyl-N-phenylformamide
SMILESCCCCN(C=O)CCCC.CN(C=O)c1ccccc1
InChIInChI=1S/C9H19NO.C8H9NO/c1-3-5-7-10(9-11)8-6-4-2;1-9(7-10)8-5-3-2-4-6-8/h9H,3-8H2,1-2H3;2-7H,1H3
InChIKeyYMLWOZLZFWNYJH-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dibutylformamide;N-methyl-N-phenylformamide 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

N-butyl-N-octadecylformamide
CID 54030417
N-phenyl-N-propylformamide
CID 19362602
N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
CID 143294633
N-formyl-N-(N-pentylanilino)formamide
CID 174978082
N-[(2-aminophenyl)methyl]-N-butylformamide
CID 89361806
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
2-[butyl(formyl)amino]ethylmercury
CID 142121724
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
3-(N-butylanilino)-2,2-dimethylpropanal
CID 64584464
2-(N-butylanilino)benzaldehyde
CID 64585010

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylformamide;N-methyl-N-phenylformamide?
The IUPAC name of N,N-dibutylformamide;N-methyl-N-phenylformamide (CID 23174930) is N,N-dibutylformamide;N-methyl-N-phenylformamide.
What is the SMILES notation for N,N-dibutylformamide;N-methyl-N-phenylformamide?
The canonical SMILES for N,N-dibutylformamide;N-methyl-N-phenylformamide is CCCCN(C=O)CCCC.CN(C=O)c1ccccc1.
What is the InChIKey of N,N-dibutylformamide;N-methyl-N-phenylformamide?
The InChIKey is YMLWOZLZFWNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H9NO/c1-3-5-7-10(9-11)8-6-4-2;1-9(7-10)8-5-3-2-4-6-8/h9H,3-8H2,1-2H3;2-7H,1H3.
What are the key properties of N,N-dibutylformamide;N-methyl-N-phenylformamide?
N,N-dibutylformamide;N-methyl-N-phenylformamide has a molecular weight of 292.42 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylformamide;N-methyl-N-phenylformamide is sourced from PubChem (CID 23174930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).