N,N'-diethylpropanediamide

C7H14N2O2 — CID 4600245

IUPACN,N'-diethylpropanediamide
SMILESCCNC(=O)CC(=O)NCC
InChIInChI=1S/C7H14N2O2/c1-3-8-6(10)5-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyYMTUEKLZYBEJSW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.35
Rot. Bonds4

About N,N'-diethylpropanediamide

N,N'-diethylpropanediamide (PubChem CID 4600245) 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 CID4600245
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN,N'-diethylpropanediamide
SMILESCCNC(=O)CC(=O)NCC
InChIInChI=1S/C7H14N2O2/c1-3-8-6(10)5-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyYMTUEKLZYBEJSW-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-methylpropanediamide;methane
CID 158978281
N-ethyl-N'-(ethylaminomethyl)propanediamide
CID 20685111
CID 175477494
CID 175477494
CID 59970835
CID 59970835
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
acetylene;N-ethylpropanamide
CID 143477358
N-ethyl-3-oxohexanamide
CID 88638325
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N,N'-diethylnonanediamide
CID 89048639
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
sodium 2-(ethylamino)-2-oxoethanolate
CID 122705106
N-ethylpropanamide tetrafluoroborate
CID 88753462

Frequently Asked Questions

What is the IUPAC name of N,N'-diethylpropanediamide?
The IUPAC name of N,N'-diethylpropanediamide (CID 4600245) is N,N'-diethylpropanediamide.
What is the SMILES notation for N,N'-diethylpropanediamide?
The canonical SMILES for N,N'-diethylpropanediamide is CCNC(=O)CC(=O)NCC.
What is the InChIKey of N,N'-diethylpropanediamide?
The InChIKey is YMTUEKLZYBEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-8-6(10)5-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N,N'-diethylpropanediamide?
N,N'-diethylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 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 4600245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).