2-butylpropanediamide

C7H14N2O2 — CID 2317243

IUPAC2-butylpropanediamide
SMILESCCCCC(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5(6(8)10)7(9)11/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyMLAVHSJBXHTLES-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds5

About 2-butylpropanediamide

2-butylpropanediamide (PubChem CID 2317243) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-butylpropanediamide.

Molecular Properties

Compound Name2-butylpropanediamide
PubChem CID2317243
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-butylpropanediamide
SMILESCCCCC(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5(6(8)10)7(9)11/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyMLAVHSJBXHTLES-UHFFFAOYSA-N
XLogP-0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
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

ethyl 2-carbamoylhexanoate
CID 13444608
2-carbamoylhexadecanoic acid
CID 172818471
2-carbamoylheptanoic acid;hydrochloride
CID 175556394
2-methylhexanamide
CID 2828737
2-(1-hydroxyethenyl)tetradecanamide
CID 141206460
2-butylpropanedioic acid;dihydrochloride
CID 87134690
2,9-dibutyldecanediamide
CID 141080467
2-propylhexanamide
CID 19818979
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
2-carbamohydrazonoylhexanoic acid
CID 173209164
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822

Frequently Asked Questions

What is the IUPAC name of 2-butylpropanediamide?
The IUPAC name of 2-butylpropanediamide (CID 2317243) is 2-butylpropanediamide.
What is the SMILES notation for 2-butylpropanediamide?
The canonical SMILES for 2-butylpropanediamide is CCCCC(C(N)=O)C(N)=O.
What is the InChIKey of 2-butylpropanediamide?
The InChIKey is MLAVHSJBXHTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-5(6(8)10)7(9)11/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-butylpropanediamide?
2-butylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpropanediamide is sourced from PubChem (CID 2317243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).