2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide

C22H34N2O3 — CID 5010674

IUPAC2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
SMILESCCOc1ccccc1C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C
InChIInChI=1S/C22H34N2O3/c1-6-27-20-10-8-7-9-18(20)15-19(21(25)23-13-11-16(2)3)22(26)24-14-12-17(4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyTXLXNWXJDOCHLC-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.79
Rot. Bonds11

About 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide

2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide (PubChem CID 5010674) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
PubChem CID5010674
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
SMILESCCOc1ccccc1C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C
InChIInChI=1S/C22H34N2O3/c1-6-27-20-10-8-7-9-18(20)15-19(21(25)23-13-11-16(2)3)22(26)24-14-12-17(4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyTXLXNWXJDOCHLC-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-2-[(2-ethoxyphenyl)methylidene]propanediamide
CID 7966894
N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide
CID 7967026
2-[(2,5-dimethylphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 7967034
N,N'-bis(3-methylbutyl)-2-[(2-phenylpyrimidin-5-yl)methylidene]propanediamide
CID 55838959
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-[(4-chlorophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 2375739
propan-2-yl 2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 3388986
propan-2-yl (Z)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 23007455
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
CID 125144994
N-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetamide
CID 109005835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide (CID 5010674) is 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide is CCOc1ccccc1C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide?
The InChIKey is TXLXNWXJDOCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-6-27-20-10-8-7-9-18(20)15-19(21(25)23-13-11-16(2)3)22(26)24-14-12-17(4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide?
2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide has a molecular weight of 374.53 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide is sourced from PubChem (CID 5010674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).