N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide

C27H30N2O2 — CID 3396233

IUPACN,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
SMILESCCN(C(=O)C(C(=O)N(CC)c1ccccc1C)c1ccccc1)c1ccccc1C
InChIInChI=1S/C27H30N2O2/c1-5-28(23-18-12-10-14-20(23)3)26(30)25(22-16-8-7-9-17-22)27(31)29(6-2)24-19-13-11-15-21(24)4/h7-19,25H,5-6H2,1-4H3
InChIKeyJHMPICAINHYRBA-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.49
Rot. Bonds7

About N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide

N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide (PubChem CID 3396233) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
PubChem CID3396233
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
SMILESCCN(C(=O)C(C(=O)N(CC)c1ccccc1C)c1ccccc1)c1ccccc1C
InChIInChI=1S/C27H30N2O2/c1-5-28(23-18-12-10-14-20(23)3)26(30)25(22-16-8-7-9-17-22)27(31)29(6-2)24-19-13-11-15-21(24)4/h7-19,25H,5-6H2,1-4H3
InChIKeyJHMPICAINHYRBA-UHFFFAOYSA-N
XLogP5.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
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2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 76925161
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
2-amino-N-ethyl-N-(2-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289599

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide?
The IUPAC name of N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide (CID 3396233) is N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide?
The canonical SMILES for N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide is CCN(C(=O)C(C(=O)N(CC)c1ccccc1C)c1ccccc1)c1ccccc1C.
What is the InChIKey of N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide?
The InChIKey is JHMPICAINHYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-5-28(23-18-12-10-14-20(23)3)26(30)25(22-16-8-7-9-17-22)27(31)29(6-2)24-19-13-11-15-21(24)4/h7-19,25H,5-6H2,1-4H3.
What are the key properties of N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide?
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide has a molecular weight of 414.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide is sourced from PubChem (CID 3396233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).