(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide

C17H25NO2 — CID 135086083

IUPAC(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide
SMILESCCC/C(=C\c1ccc(OC)cc1)C(=O)NCC(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-15(17(19)18-12-13(2)3)11-14-7-9-16(20-4)10-8-14/h7-11,13H,5-6,12H2,1-4H3,(H,18,19)/b15-11+
InChIKeySDZRCZFWDCPNHN-RVDMUPIBSA-N
MW275.39 g/mol
LogP3.65
Rot. Bonds7

About (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide

(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide (PubChem CID 135086083) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide
PubChem CID135086083
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide
SMILESCCC/C(=C\c1ccc(OC)cc1)C(=O)NCC(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-15(17(19)18-12-13(2)3)11-14-7-9-16(20-4)10-8-14/h7-11,13H,5-6,12H2,1-4H3,(H,18,19)/b15-11+
InChIKeySDZRCZFWDCPNHN-RVDMUPIBSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-Methoxybenzyl)Palmitamide
CID 71765531
(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
CID 73346043
N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-(4-methoxyphenethyl)benzamide
CID 3083797
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
Tmppaa
CID 889955
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
Bomppa
CID 71508234

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide?
The IUPAC name of (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide (CID 135086083) is (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide?
The canonical SMILES for (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide is CCC/C(=C\c1ccc(OC)cc1)C(=O)NCC(C)C.
What is the InChIKey of (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide?
The InChIKey is SDZRCZFWDCPNHN-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-15(17(19)18-12-13(2)3)11-14-7-9-16(20-4)10-8-14/h7-11,13H,5-6,12H2,1-4H3,(H,18,19)/b15-11+.
What are the key properties of (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide?
(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide has a molecular weight of 275.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 135086083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).