N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide

C16H18N2O3 — CID 108961384

IUPACN'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCGMJQKZFJMEFRP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds5

About N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide

N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide (PubChem CID 108961384) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
PubChem CID108961384
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)NCc1ccco1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCGMJQKZFJMEFRP-UHFFFAOYSA-N
XLogP2.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961477
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-[4-(diethylamino)-2-methylphenyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961481
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide (CID 108961384) is N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide is CC(C)(C(=O)NCc1ccco1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide?
The InChIKey is CGMJQKZFJMEFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,14(19)17-11-13-9-6-10-21-13)15(20)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide?
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide has a molecular weight of 286.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide is sourced from PubChem (CID 108961384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).