2-butyl-2-ethyl-N,N'-diphenylpropanediamide

C21H26N2O2 — CID 170847638

IUPAC2-butyl-2-ethyl-N,N'-diphenylpropanediamide
SMILESCCCCC(CC)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-5-16-21(4-2,19(24)22-17-12-8-6-9-13-17)20(25)23-18-14-10-7-11-15-18/h6-15H,3-5,16H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPFPNVYYWNDTKTB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.85
Rot. Bonds8

About 2-butyl-2-ethyl-N,N'-diphenylpropanediamide

2-butyl-2-ethyl-N,N'-diphenylpropanediamide (PubChem CID 170847638) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-butyl-2-ethyl-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2-butyl-2-ethyl-N,N'-diphenylpropanediamide
PubChem CID170847638
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-butyl-2-ethyl-N,N'-diphenylpropanediamide
SMILESCCCCC(CC)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-5-16-21(4-2,19(24)22-17-12-8-6-9-13-17)20(25)23-18-14-10-7-11-15-18/h6-15H,3-5,16H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPFPNVYYWNDTKTB-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.85
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

potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
CID 23672129
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2,2-dibromo-N-phenylnonanamide
CID 59766487
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
2-acetyl-N-phenyl-2-propan-2-ylheptanamide
CID 24972977
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-N,N'-diphenylpropanediamide?
The IUPAC name of 2-butyl-2-ethyl-N,N'-diphenylpropanediamide (CID 170847638) is 2-butyl-2-ethyl-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2-butyl-2-ethyl-N,N'-diphenylpropanediamide?
The canonical SMILES for 2-butyl-2-ethyl-N,N'-diphenylpropanediamide is CCCCC(CC)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-butyl-2-ethyl-N,N'-diphenylpropanediamide?
The InChIKey is PFPNVYYWNDTKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-5-16-21(4-2,19(24)22-17-12-8-6-9-13-17)20(25)23-18-14-10-7-11-15-18/h6-15H,3-5,16H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-butyl-2-ethyl-N,N'-diphenylpropanediamide?
2-butyl-2-ethyl-N,N'-diphenylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-N,N'-diphenylpropanediamide is sourced from PubChem (CID 170847638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).