N'-phenyl-N,N'-di(propan-2-yl)propanediamide

C15H22N2O2 — CID 71028151

IUPACN'-phenyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C)NC(=O)CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14(18)10-15(19)17(12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)
InChIKeyRFZBRTMSXZEQAD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds5

About N'-phenyl-N,N'-di(propan-2-yl)propanediamide

N'-phenyl-N,N'-di(propan-2-yl)propanediamide (PubChem CID 71028151) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-phenyl-N,N'-di(propan-2-yl)propanediamide.

Molecular Properties

Compound NameN'-phenyl-N,N'-di(propan-2-yl)propanediamide
PubChem CID71028151
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-phenyl-N,N'-di(propan-2-yl)propanediamide
SMILESCC(C)NC(=O)CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14(18)10-15(19)17(12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)
InChIKeyRFZBRTMSXZEQAD-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
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

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2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
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[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
benzene;1,1-diphenyl-3-propan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N,N'-di(propan-2-yl)propanediamide?
The IUPAC name of N'-phenyl-N,N'-di(propan-2-yl)propanediamide (CID 71028151) is N'-phenyl-N,N'-di(propan-2-yl)propanediamide.
What is the SMILES notation for N'-phenyl-N,N'-di(propan-2-yl)propanediamide?
The canonical SMILES for N'-phenyl-N,N'-di(propan-2-yl)propanediamide is CC(C)NC(=O)CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of N'-phenyl-N,N'-di(propan-2-yl)propanediamide?
The InChIKey is RFZBRTMSXZEQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)16-14(18)10-15(19)17(12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18).
What are the key properties of N'-phenyl-N,N'-di(propan-2-yl)propanediamide?
N'-phenyl-N,N'-di(propan-2-yl)propanediamide has a molecular weight of 262.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N,N'-di(propan-2-yl)propanediamide is sourced from PubChem (CID 71028151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).