2-benzyl-2-propylpropanediamide

C13H18N2O2 — CID 131715569

IUPAC2-benzyl-2-propylpropanediamide
SMILESCCCC(Cc1ccccc1)(C(N)=O)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-2-8-13(11(14)16,12(15)17)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyJAMVDDJZHHDBNA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.99
Rot. Bonds6

About 2-benzyl-2-propylpropanediamide

2-benzyl-2-propylpropanediamide (PubChem CID 131715569) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-benzyl-2-propylpropanediamide.

Molecular Properties

Compound Name2-benzyl-2-propylpropanediamide
PubChem CID131715569
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-benzyl-2-propylpropanediamide
SMILESCCCC(Cc1ccccc1)(C(N)=O)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-2-8-13(11(14)16,12(15)17)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyJAMVDDJZHHDBNA-UHFFFAOYSA-N
XLogP0.99
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.99
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

2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
2-amino-2-benzylpentanoic acid
CID 24974249
2-amino-2-benzylhexanamide
CID 174812463
2-benzyl-2-pentylpropanedioic acid
CID 141045476
calcium 2-benzyl-2-ethylpropanedioate
CID 153423943
1-phenylpentane-2,2-diol
CID 56635388
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2,2-dichloro-3-phenylpropanamide
CID 21425793
2-benzyl-2-(4-hydroxyphenyl)hexanamide
CID 70049047

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-propylpropanediamide?
The IUPAC name of 2-benzyl-2-propylpropanediamide (CID 131715569) is 2-benzyl-2-propylpropanediamide.
What is the SMILES notation for 2-benzyl-2-propylpropanediamide?
The canonical SMILES for 2-benzyl-2-propylpropanediamide is CCCC(Cc1ccccc1)(C(N)=O)C(N)=O.
What is the InChIKey of 2-benzyl-2-propylpropanediamide?
The InChIKey is JAMVDDJZHHDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-13(11(14)16,12(15)17)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 2-benzyl-2-propylpropanediamide?
2-benzyl-2-propylpropanediamide has a molecular weight of 234.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-propylpropanediamide is sourced from PubChem (CID 131715569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).