N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

C17H26N2O2 — CID 108957863

IUPACN-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C17H26N2O2/c1-5-7-12-18-15(20)17(3,4)16(21)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7,12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPXAXLCFNXOQCRC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.13
Rot. Bonds7

About N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108957863) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108957863
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C17H26N2O2/c1-5-7-12-18-15(20)17(3,4)16(21)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7,12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPXAXLCFNXOQCRC-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108967866
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
methyl 3-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966429
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
ethyl 4-[[3-[3-(dimethylamino)propylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960648

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (CID 108957863) is N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is CCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is PXAXLCFNXOQCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-12-18-15(20)17(3,4)16(21)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7,12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 290.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).