N'-(2-methylpropyl)propanediamide

C7H14N2O2 — CID 54100149

IUPACN'-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)4-9-7(11)3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyMZZHGGKZQDDNLG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.37
Rot. Bonds4

About N'-(2-methylpropyl)propanediamide

N'-(2-methylpropyl)propanediamide (PubChem CID 54100149) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)propanediamide
PubChem CID54100149
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN'-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)4-9-7(11)3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyMZZHGGKZQDDNLG-UHFFFAOYSA-N
XLogP-0.37
TPSA72.19 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 ≤ 5-0.37
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-Isobutylacetamide
CID 137071
N-(3-aminopropyl)acetamide
CID 13793967
3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977
N-ethylazetidine-3-carboxamide
CID 65963358
N,N'-Dimethylmalonamide
CID 192755
N-(3-acetamidopropyl)acetamide
CID 5147555
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
N,2-dimethyl-3-(methylamino)propanamide
CID 20578861
Propanamide, N-isobutyl
CID 347479
Propanamide, 2-methyl-N-propyl
CID 528627
3-amino-N-ethyl-2,2-dimethylpropanamide
CID 61826263

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)propanediamide?
The IUPAC name of N'-(2-methylpropyl)propanediamide (CID 54100149) is N'-(2-methylpropyl)propanediamide.
What is the SMILES notation for N'-(2-methylpropyl)propanediamide?
The canonical SMILES for N'-(2-methylpropyl)propanediamide is CC(C)CNC(=O)CC(N)=O.
What is the InChIKey of N'-(2-methylpropyl)propanediamide?
The InChIKey is MZZHGGKZQDDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)4-9-7(11)3-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of N'-(2-methylpropyl)propanediamide?
N'-(2-methylpropyl)propanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)propanediamide is sourced from PubChem (CID 54100149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).