N',N'-diethylpropanediamide

C7H14N2O2 — CID 18173697

IUPACN',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-9(4-2)7(11)5-6(8)10/h3-5H2,1-2H3,(H2,8,10)
InChIKeyGEHFEQPQYDTAKB-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.27
Rot. Bonds4

About N',N'-diethylpropanediamide

N',N'-diethylpropanediamide (PubChem CID 18173697) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N',N'-diethylpropanediamide.

Molecular Properties

Compound NameN',N'-diethylpropanediamide
PubChem CID18173697
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-9(4-2)7(11)5-6(8)10/h3-5H2,1-2H3,(H2,8,10)
InChIKeyGEHFEQPQYDTAKB-UHFFFAOYSA-N
XLogP-0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-Tetraethylmalonamide
CID 551770
3-(Dimethylamino)propanamide
CID 11330431
Acetic acid, 1-(3-amino-3-oxopropyl)-2,2-dimethylhydrazide
CID 3024685
N,N,N',N'-Tetrapropylmalonamide
CID 2384358
3-amino-N,N-diethylpropanamide
CID 16793555
3-(3-Azaniumylpropanoylamino)propyl-dimethyl-azanium
CID 131839627
1-Acetylazetidine-3-carboxamide
CID 71785350
N,N-Diethyl-beta-alaninamide--hydrogen chloride (1/1)
CID 17750337
N-methyl-3-[N-methyl-3-(methylamino)propanamido]propanamide hydrochloride
CID 155822781
N-(2-(dimethylcarbamoyl)ethyl)-N-methyl-3-(methylamino)propanamide
CID 155943543
3-(3-Azaniumylpropanoylamino)propyl-dimethylazanium
CID 42149132
N,N'-Dimethylisopropylmalonamide
CID 132234

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylpropanediamide?
The IUPAC name of N',N'-diethylpropanediamide (CID 18173697) is N',N'-diethylpropanediamide.
What is the SMILES notation for N',N'-diethylpropanediamide?
The canonical SMILES for N',N'-diethylpropanediamide is CCN(CC)C(=O)CC(N)=O.
What is the InChIKey of N',N'-diethylpropanediamide?
The InChIKey is GEHFEQPQYDTAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-9(4-2)7(11)5-6(8)10/h3-5H2,1-2H3,(H2,8,10).
What are the key properties of N',N'-diethylpropanediamide?
N',N'-diethylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylpropanediamide is sourced from PubChem (CID 18173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).