N,N-dibenzylformamide;N,N-diethylformamide;methane

C21H30N2O2 — CID 160532713

IUPACN,N-dibenzylformamide;N,N-diethylformamide;methane
SMILESC.CCN(C=O)CC.O=CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15NO.C5H11NO.CH4/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-3-6(4-2)5-7;/h1-10,13H,11-12H2;5H,3-4H2,1-2H3;1H4
InChIKeyQVTKBCVBAZSWAR-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.97
Rot. Bonds8

About N,N-dibenzylformamide;N,N-diethylformamide;methane

N,N-dibenzylformamide;N,N-diethylformamide;methane (PubChem CID 160532713) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N,N-dibenzylformamide;N,N-diethylformamide;methane.

Molecular Properties

Compound NameN,N-dibenzylformamide;N,N-diethylformamide;methane
PubChem CID160532713
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN,N-dibenzylformamide;N,N-diethylformamide;methane
SMILESC.CCN(C=O)CC.O=CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15NO.C5H11NO.CH4/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-3-6(4-2)5-7;/h1-10,13H,11-12H2;5H,3-4H2,1-2H3;1H4
InChIKeyQVTKBCVBAZSWAR-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(3-fluorophenyl)methyl]formamide
CID 87852455
N-benzyl-N-[(3-bromophenyl)methyl]formamide
CID 87851902
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide
CID 169111032
N-benzyl-N-(cyclopropylmethyl)formamide
CID 174364341
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
cadmium;N,N-diethylformamide
CID 157494696
N,N-bis[(4-hydroxyphenyl)methyl]formamide
CID 82254480
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
acetic acid;N,N-diethylformamide
CID 172752961
N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
CID 170006039

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylformamide;N,N-diethylformamide;methane?
The IUPAC name of N,N-dibenzylformamide;N,N-diethylformamide;methane (CID 160532713) is N,N-dibenzylformamide;N,N-diethylformamide;methane.
What is the SMILES notation for N,N-dibenzylformamide;N,N-diethylformamide;methane?
The canonical SMILES for N,N-dibenzylformamide;N,N-diethylformamide;methane is C.CCN(C=O)CC.O=CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylformamide;N,N-diethylformamide;methane?
The InChIKey is QVTKBCVBAZSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C5H11NO.CH4/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-3-6(4-2)5-7;/h1-10,13H,11-12H2;5H,3-4H2,1-2H3;1H4.
What are the key properties of N,N-dibenzylformamide;N,N-diethylformamide;methane?
N,N-dibenzylformamide;N,N-diethylformamide;methane has a molecular weight of 342.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylformamide;N,N-diethylformamide;methane is sourced from PubChem (CID 160532713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).