N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide

C16H22N2O3 — CID 108957697

IUPACN-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)C(C)(C)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O3/c1-5-11-17-14(19)16(3,4)15(20)18-12-7-9-13(10-8-12)21-6-2/h5,7-10H,1,6,11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyZXNYGKCVEFTBMA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds7

About N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide

N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide (PubChem CID 108957697) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
PubChem CID108957697
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)C(C)(C)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O3/c1-5-11-17-14(19)16(3,4)15(20)18-12-7-9-13(10-8-12)21-6-2/h5,7-10H,1,6,11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyZXNYGKCVEFTBMA-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2,2-dimethyl-3-oxo-3-(prop-2-enylamino)propanoyl]amino]benzoate
CID 108957736
N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957663
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
methyl 3-[[3-(4-ethoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969510
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide (CID 108957697) is N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide is C=CCNC(=O)C(C)(C)C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The InChIKey is ZXNYGKCVEFTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-11-17-14(19)16(3,4)15(20)18-12-7-9-13(10-8-12)21-6-2/h5,7-10H,1,6,11H2,2-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide has a molecular weight of 290.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide is sourced from PubChem (CID 108957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).